Glycoside
GD021479
Name:
NoneFormula:
C12H13O9NSmiles:
O=C(O)C(O)C1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H]1OAglycone:
O=C(O)CO.O=[N+]([O-])c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.23 | Num_heavy_atoms: | 22 |
| TPSA: | 159.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00091
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 63.37 | NumAromaticRings: | 1 |
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
