TPCN04239

Name Clinoposaponin VIII
Molecular Formula C54H88O23
Molecular Weight 1105.28
CAS Registry Number 152020-04-7
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(OC3OC(CO)C(O)C(O)C3O)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 Pleurospermum kamtschaticum Aerial parts 0.004350% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 23 HBD 14
HeavyAtoms 77 AlogP -2.57
TPSA 366.29 RotatableBonds 12
FractionCSP3 0.96 Rings 10
AromaticRings 0 AliphaticRings 10