TPCN05156

Name Quadranosides I
Molecular Formula C36H58O10
Molecular Weight 650.85
CAS Registry Number 267001-52-5
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)(C)C5C(O)CC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Combretaceae Combretum quadrangulare Seeds 0.000222% J Nat Prod 63, 496-500 (2000) 10.1021/np990581+
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.29
TPSA 177.14 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6