TPCN05506
Name | 3???O-{??-D-xylopyranosyl-(1 ?? 4)-[??-D-xylopyranosyl-(1 ?? 2)]-??-Dglucopyranosyl}-2??-hydroxyolean-12-en-28-O-[??-D-glucopyranosyl-(1 ?? 6)-??-D-glucopyranosyl-(1 ?? 2)-??-L-rhamnopyranosyl] ester |
Molecular Formula | C64H104O31 |
Molecular Weight | 1369.51 |
CAS Registry Number | 1384896-27-8 |
SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Erythrophleum fordii | Leaves | 0.000365% | Planta Med. 2011. 77, 1631-1638. | 10.1055/s-0030-1270992 |
Properties
HBA | 31 | HBD | 18 |
HeavyAtoms | 95 | AlogP | -5.11 |
TPSA | 491.97 | RotatableBonds | 15 |
FractionCSP3 | 0.95 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |