Cussonoside B
Grundinformationen
- CAS
30688-36-9- Standard-SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QDUNASUIHMLOJM-VYEWMGKISA-N- Summenformel
- C48H78O17
- Durchschnittliche Molmasse
- 927,1 g/mol
- Monoisotopische Masse
- 926,52390104
Überblick
Cussonoside B has been reported in Pulsatilla dahurica, Anemone taipaiensis, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Cussonoside B
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- Englischer Name
- cussonoside B
- Summenformel
- C48H78O17
- Molmasse
- 927.12
Namen und Synonyme
Cussonoside B30688-36-9DTXSID201317602Oleanolic acid-28-O-(rhamnopyranosyl(1-4)glucopyranosyl(1-6))glucopyranosyl esterOlean-12-en-28-oic acid, 3-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-RefChem:919297DTXCID101747408Cirensenoside OCHEMBL1171448[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateSCHEMBL31237330BDBM50322753
Weitere Namen anzeigen
Olean-12-en-28-oic acid, 3-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
Oleanolic acid 28-O-(rhamnopyranosyl(1-4)glucopyranosyl(1-6))glucopyranosyl ester3beta-hydroxyolean-12-en-28-oic acid O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-(3beta-hydroxy-28-oxoolean-12-en-28-yl)-beta-D-glucopyranose
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 275 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 65
- Formalladung
- 0
- Komplexität
- 1.780
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