TPCN04420

Name Deapioplatycoside E;3-O-b-D-glucopyranosyl-(1 ! 6)-b-D-glucopyranosyl-(1 ! 6)-b-D-glucopyranosyl-2b,3b,16a,23,24-pentahydroxyolean-12-ene-28-oic acid 28-O-b-D-xylopyranosyl-(1 ! 4)-a-L-rhamnopyranosyl-(1 ! 2)-a-L-arabinopyranoside
Molecular Formula C64H104O34
Molecular Weight 1417.50
CAS Registry Number 849758-42-5
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(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Campanulaceae Platycodon grandiflurum Roots 0.002265% J Asian Nat Prod Res. 2007. 9, 35-40. 10.1080/10286020500289600.
Campanulaceae Platycodon grandiflorum Roots 0.000750% Molecules 15(12): 8702-8708. 10.3390/molecules15128702
Properties
HBA 34 HBD 21
HeavyAtoms 98 AlogP -8.19
TPSA 552.66 RotatableBonds 17
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11