Glycoside
GD009723
Name:
GUMOSIDE AFormula:
C35H48O14Smiles:
C=C1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1Aglycone:
C=C1CC(O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.76 | Num_heavy_atoms: | 49 |
| TPSA: | 217.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD07601
Formula: C24H30O5
Smiles:
C=C1CC(O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
