TPCN05062

Name Quadranoside ??
Molecular Formula C43H62O15
Molecular Weight 818.95
CAS Registry Number 297141-64-1
SMILES C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Combretaceae Combretum quadrangulare Seeds 0.000756% Chem Pharm Bull (Tokyo) 48, 1114-1120 (2000) 10.1248/cpb.48.1114
Properties
HBA 15 HBD 10
HeavyAtoms 58 AlogP 2.24
TPSA 264.13 RotatableBonds 7
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6