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 |