TPCN04372

Name Deapioplatycodin D3
Molecular Formula C58H94O29
Molecular Weight 1255.36
CAS Registry Number 67884-05-3
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(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflorum Roots 0.001100% Molecules 15(12): 8702-8708. 10.3390/molecules15128702
Properties
HBA 29 HBD 18
HeavyAtoms 87 AlogP -6.02
TPSA 473.51 RotatableBonds 14
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10