Papulacandin B
Grundinformationen
- CAS
61032-80-2- Standard-SMILES
CCC(O)/C=C/C=C/C=C/C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/C=C/CC(O)/C(C)=C/C=C/CCC(C)CC)[C@@H](O)[C@@]3(OCc4cc(O)cc(O)c43)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
UJLFRJFJTPPIOK-DOERTBJDSA-N- Summenformel
- C47H64O17
- Durchschnittliche Molmasse
- 901 g/mol
- Monoisotopische Masse
- 900,41435057
Überblick
from Papularia sphaerosperma; inhibits growth of Candida albicans
Namen und Bezeichner
- Bevorzugter Name
- Papulacandin B
- IUPAC
- [(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
- Englischer Name
- 1,1-O-(4,6-Dihydroxy-1,2-phenylenemethylene)-4-O-[6-O-(8-hydroxy-1-oxodeca-2,4,6-trienyl)-β-D-galactopyranosyl]-α-D-glucopyranose 3-(7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)
- Summenformel
- C47H64O17
- Molmasse
- 901
Namen und Synonyme
Papulacandin BDTXSID001027536alpha-D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)CHEBI:569624RefChem:928575DTXCID401765477(1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-((6-O-((2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl)-beta-D-galactopyranosyl)oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro(2-benzofuran-1,2'-pyran)-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate61032-80-2A-32283-B[(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoateCHEMBL448981SCHEMBL29386811
Weitere Namen anzeigen
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 272 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 23
- Schwere Atome
- 64
- Formalladung
- 0
- Komplexität
- 1.670
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Anbieter1 Anbieter
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…