TPCN03973
Name | Olean-12-en-28-oic acid, 3-[(O-??-D-ribopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-[??-D-glucopyranosyl-(1??4)]-??-L-arabinopyranosyl)oxy]-, O-??-D-glucopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??6)-O-??-D-glucopyranosyl ester, (3??)- (ACI) |
Molecular Formula | C76H124O39 |
Molecular Weight | 1661.79 |
CAS Registry Number | 1219504-03-6 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Anemone hupehensis | Whole plants | 0.000203% | Chem Pharm Bull (Tokyo), 2009, 57, 1425-1430. | 10.1248/cpb.57.1425 |
Properties
HBA | 39 | HBD | 22 |
HeavyAtoms | 115 | AlogP | -7.41 |
TPSA | 609.81 | RotatableBonds | 20 |
FractionCSP3 | 0.96 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |