TPCN03595
Name | Gleditsiosides N |
Molecular Formula | C88H138O38 |
Molecular Weight | 1804.03 |
CAS Registry Number | 232600-17-8 |
SMILES | C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(OC(=O)C(=CCCC(C)(O)C=C)CO)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Gleditsia sinensis | Fruits | 0.002000% | J Nat Prod 62, 877-881 (1999). | 10.1021/np990060m |
Properties
HBA | 38 | HBD | 19 |
HeavyAtoms | 126 | AlogP | -1.58 |
TPSA | 583.26 | RotatableBonds | 29 |
FractionCSP3 | 0.85 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |