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