TPCN04330

Name Platycodin D3
Molecular Formula C63H102O33
Molecular Weight 1387.48
CAS Registry Number 67884-03-1
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.001600% Molecules 15(12): 8702-8708. 10.3390/molecules15128702
Properties
HBA 33 HBD 20
HeavyAtoms 96 AlogP -7.55
TPSA 532.43 RotatableBonds 17
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11