TPCN05739

Name Sandrosaponin X
Molecular Formula C48H76O19
Molecular Weight 957.12
CAS Registry Number 303953-50-6
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Bupleurum rigidum Roots 0.001500% J Nat Prod. 2000 Nov;63(11):1479-82. 10.1021/np000004h.
Properties
HBA 19 HBD 11
HeavyAtoms 67 AlogP 0.80
TPSA 312.05 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8