TPCN05063

Name Quadranoside ??
Molecular Formula C43H62O16
Molecular Weight 834.95
CAS Registry Number 297141-60-7
SMILES CC1CCC2(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)C2C1(C)O
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 16 HBD 11
HeavyAtoms 59 AlogP 1.36
TPSA 284.36 RotatableBonds 6
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6