TPCN04435

Name Clinoposaponin XIV
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 197632-90-9
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CC(O)C(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.000650% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Properties
HBA 14 HBD 9
HeavyAtoms 56 AlogP 0.75
TPSA 228.22 RotatableBonds 6
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8