Glycoside
GD045996
Name:
NoneFormula:
C13H16O6N2Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cccc3ocnc23)[C@@H](O)[C@@H]1OAglycone:
Nc1cccc2ocnc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 128.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD25314
Formula: C7H6ON2
Smiles:
Nc1cccc2ocnc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 52.05 | NumAromaticRings: | 2 |
