TPCN04406

Name Platycoside E
Molecular Formula C69H112O38
Molecular Weight 1549.62
CAS Registry Number 237068-41-6
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OC(COC9OC(CO)C(O)C(O)C9O)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 0.000800% Molecules 15(12): 8702-8708. 10.3390/molecules15128702
Properties
HBA 38 HBD 23
HeavyAtoms 107 AlogP -9.73
TPSA 611.58 RotatableBonds 20
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12