TPCN04214

Name Kalopanaxsaponin H;TPG2
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 128730-82-5
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(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Trevesia palmata Aerial parts 0.012885% Sci Rep . 2018 Sep 28;8(1):14522 10.1038/s41598-018-32956-4
Ranunculaceae Pulsatilla koreana Roots 0.009000% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 1.35
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8