Glycoside
GD012728
Name:
GENTIABAVAROSIDEFormula:
C26H30O15Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)c3c(OC)c(O)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD07596
Formula: C15H12O6
Smiles:
COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
