TPCN05113

Name Quadranosides V
Molecular Formula C36H56O11
Molecular Weight 664.83
CAS Registry Number 267001-56-9
SMILES CC1=C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Combretaceae Combretum quadrangulare Seeds 0.000396% J Nat Prod 63, 496-500 (2000) 10.1021/np990581+
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.33
TPSA 197.37 RotatableBonds 4
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6