(16alpha,20R)-20,24-epoxy-2,16-dihydroxy-25,26,27-trinorcucurbita-1,5,23-triene-3,11,22-trione 2-O-beta-Dglucopyranoside
Grundinformationen
- CAS
1345690-59-6- Standard-SMILES
CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@]3(C)OC=CC3=O)[C@H](O)C[C@@]12C- InChIKey
WBITZIQWEJYFNO-GSNQANGESA-N- Summenformel
- C33H44O11
- Durchschnittliche Molmasse
- 616,7 g/mol
- Monoisotopische Masse
- 616,28836222
Überblick
(16alpha,20R)-20,24-epoxy-2,16-dihydroxy-25,26,27-trinorcucurbita-1,5,23-triene-3,11,22-trione 2-O-beta-Dglucopyranoside is a triterpenoid saponin of the class of cucurbitane glycosides isolated from Machilus yaoshansis. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of furans, a triterpenoid saponin and a monosaccharide derivative.
Namen und Bezeichner
- Bevorzugter Name
- (16alpha,20R)-20,24-epoxy-2,16-dihydroxy-25,26,27-trinorcucurbita-1,5,23-triene-3,11,22-trione 2-O-beta-Dglucopyranoside
- IUPAC
- (8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2-methyl-3-oxofuran-2-yl]-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
Namen und Synonyme
(16alpha,20R)-20,24-epoxy-2,16-dihydroxy-25,26,27-trinorcucurbita-1,5,23-triene-3,11,22-trione 2-O-beta-DglucopyranosideCHEMBL1923779CHEBI:68914DTXSID3011032301345690-59-6Q27137269(4R,9beta,16alpha)-16-hydroxy-9,10,14-trimethyl-1,11,22-trioxo-20,24-epoxy-4,9-cyclo-9,10-secochola-2,5,23-trien-2-yl beta-D-glucopyranoside19-Norchola-1,5,23-triene-3,11,22-trione, 20,24-epoxy-2-(I(2)-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9I(2),10I+/-,16I+/-)-
Datenbank-Bezeichner
- CAS
1345690-59-6- PubChem CID
- 56833753
- DTXSID
DTXSID301103230- ChEMBL
CHEMBL1923779- ChEBI
CHEBI:68914
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 180 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 1.380
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…