Cucurbitacin I 2-O-Beta-D-Glucopyranoside
Grundinformationen
- CAS
29803-94-9- Standard-SMILES
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C- InChIKey
LIIOJBIJVPGVGO-JZZAZZIQSA-N- Summenformel
- C36H52O12
- Durchschnittliche Molmasse
- 676,8 g/mol
- Monoisotopische Masse
- 676,34587709
Überblick
Cucurbitacin I 2-O-beta-D-glucopyranoside is a triterpenoid saponin that is cucurbitacin I attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. It has been isolated from Machilus yaoshansis. It has a role as a plant metabolite. It is a tertiary alpha-hydroxy ketone, a cucurbitacin, a beta-D-glucoside, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to a cucurbitacin I.
Namen und Bezeichner
- Bevorzugter Name
- Cucurbitacin I 2-O-Beta-D-Glucopyranoside
- IUPAC
- (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
- Englischer Name
- (10α,23E)-2-(β-D-Glucopyranosyloxy)-16α,20,25-trihydroxy-9β-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
- Summenformel
- C36H52O12
- Molmasse
- 676.79088
Namen und Synonyme
cucurbitacin I 2-O-beta-D-glucopyranosideCHEBI:68917(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione(8S,9R,10R,13R,14S,16R,17R)-17-((E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-16-hydroxy-4,4,9,13,14-pentamethyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta(a)phenanthrene-3,11-dioneRefChem:108232229803-94-9Cucurbitacine I glucosideCucurbitacine-I-glucosidebeta-Glucoside de LA cucurbitacine (I)(10alpha,23E)-2-(beta-D-Glucopyranosyloxy)-16alpha,20,25-trihydroxy-9beta-methyl-19-norlanosta-1,5,23-triene-3,11,22-trioneCucurbitacin I-2-O-beta-D-glucopyranosideCompound NP-002365
Weitere Namen anzeigen
Cucurbitacin I 2-glucoside2-O-β-D-Glucopyranosylcucurbitacin ICucurbitacin I 2-O-β-D-glucopyranoside(10α,23E)-2-(β-D-Glucopyranosyloxy)-16α,20,25-trihydroxy-9β-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione(9β,10α,23E)-2-(β-D-Glucopyranosyloxy)-9-methyl-16α,20,25-trihydroxy-19-norlanosta-1,5,23-triene-3,11,22-trione19-Norlanosta-1,5,23-triene-3,11,22-trione, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, (9β,10α,16α,23E)-
19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16,20,25-trihydroxy-orb3029208CHEMBL1765380ACon1_002046AKOS0407351202-O-|A-D-Glucopyranosylcucurbitacin INCGC00179885-01NCGC00179885-03
Datenbank-Bezeichner
- CAS
29803-94-9- PubChem CID
- 6441519
- ChEMBL
CHEMBL1765380- ChEBI
CHEBI:68917- Nikkaji
- J2.416.557D、J86.688A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 211 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 48
- Formalladung
- 0
- Komplexität
- 1.460
Physikochemische Eigenschaften
- Siedepunkt
- 868.3 · 868.3±65.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.29(Predicted)
Chemie und Industrie
Anbieter8 Anbieter
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
成都昂赛思生物科技有限公司13518187787 · [email protected]
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