TPCN05072
Name | Gummiferaosides C |
Molecular Formula | C113H178O50 |
Molecular Weight | 2336.62 |
CAS Registry Number | 930579-67-2 |
SMILES | C=CC(C)(CCC=C(C)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC(C)(C=C)CCC=C(C)C(=O)OC3CC4(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(O)CC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OC(C)C(O)C(O)C9O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC65C)C4CC3(C)C)C(O)C2O)C(O)C1O)OC1OC(C)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Albizia gummifera | Roots | 0.000696% | J Nat Prod 70, 361-366 (2007) | 10.1021/np060506g |
Properties
HBA | 50 | HBD | 25 |
HeavyAtoms | 163 | AlogP | -2.55 |
TPSA | 767.86 | RotatableBonds | 39 |
FractionCSP3 | 0.84 | Rings | 14 |
AromaticRings | 0 | AliphaticRings | 14 |