TPCN03927

Name Clemontoside-C;Clemontanoside C
Molecular Formula C46H74O16
Molecular Weight 883.08
CAS Registry Number 80666-65-5
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Elattostachys apetala Barks 0.000528% Phytochemistry 57(3): 469-478. 10.1016/s0031-9422(01)00063-2
Ranunculaceae Souliea vaginata Whole plants 0.000300% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 16 HBD 9
HeavyAtoms 62 AlogP 1.98
TPSA 254.52 RotatableBonds 8
FractionCSP3 0.93 Rings 8
AromaticRings 0 AliphaticRings 8