TPCN05740

Name Sandrosaponin VII
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 303952-95-6
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(CO)CC63)C(O)CC45C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Bupleurum rigidum Roots 0.001483% J Nat Prod. 2000 Nov;63(11):1479-82. 10.1021/np000004h.
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -1.43
TPSA 307.37 RotatableBonds 10
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9