TPCN03644

Name Clemdtdngoticosides D
Molecular Formula C60H98O27
Molecular Weight 1251.42
CAS Registry Number 1951480-13-9
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(O)C(C)(COC8OC(CO)C(O)C(O)C8O)C7CCC6(C)C4(C)CC5)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis tangutica Whole plants 0.001440% Phytochemistry 130, 228-237 (2016). 10.1016/j.phytochem.2016.05.009
Properties
HBA 27 HBD 16
HeavyAtoms 87 AlogP -3.18
TPSA 433.05 RotatableBonds 14
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10