TPCN05458
Name | ??-D-Glucopyranoside, (3??,21??,22??)-28-[(6-O-??-D-glucopyranosyl-??-D-glucopyranosyl)oxy]-21,22-dihydroxyolean-12-en-3-yl O-??-L-arabinopyranosyl-(1??4)-O-[??-D-galactopyranosyl-(1??2)]- (ACI) |
Molecular Formula | C59H98O28 |
Molecular Weight | 1255.41 |
CAS Registry Number | 2109789-87-7 |
SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Biebersteiniaceae | Billia rosea | Seeds | 0.000647% | Phytochemistry. 2017. 141, 105-113. | 10.1016/j.phytochem.2017.04.023 |
Properties
HBA | 28 | HBD | 18 |
HeavyAtoms | 87 | AlogP | -5.16 |
TPSA | 456.44 | RotatableBonds | 15 |
FractionCSP3 | 0.97 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |