TPCN03736

Name Clematibetoside C
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 344590-76-7
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Madhuca longifolia Seeds 0.000909% J Nat Prod, 2000, 63, 1679-1681. 10.1021/np000351r
Ranunculaceae Clematis tibetana Aerial parts 0.000410% Chem Pharm Bull (Tokyo) . 2001 May;49(5):635-8 10.1248/cpb.49.635
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -1.40
TPSA 353.90 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9