TPCN06241

Name Nipponoside D
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 223260-27-3
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(CO)CC4C4=CCC6C7(C)CCC(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Acanthopanax brachypus Barks 0.000131% Chem Pharm Bull (Tokyo) . 2009 Sep;57(9):1000-3 10.1248/cpb.57.1000
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -0.89
TPSA 315.21 RotatableBonds 10
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8