TPCN05357

Name Clematochinenoside H
Molecular Formula C88H144O49
Molecular Weight 1986.07
CAS Registry Number 1445989-07-0
SMILES CC1OC(OCC2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5COC(OC6C(O)C(C)OC(OC7C(OC8CCC9(C)C(CCC%10(C)C9CC=C9C%11CC(C)(C)CCC%11(C(=O)OC%11OC(COC%12OC(CO)C(OC%13OC(C)C(O)C(O)C%13O)C(O)C%12O)C(O)C(O)C%11O)CCC9%10C)C8(C)CO)OCC(O)C7O)C6O)C(O)C5O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis chinensis Roots 0.002600% J Asian Nat Prod Res. 2013. 15, 610-618 10.1080/10286020.2013.794418
Properties
HBA 49 HBD 28
HeavyAtoms 137 AlogP -11.76
TPSA 768.11 RotatableBonds 26
FractionCSP3 0.97 Rings 15
AromaticRings 0 AliphaticRings 15