Glycoside
GD054846
Name:
NoneFormula:
C12H13O8N3Smiles:
O=C(Nc1nnc(-c2ccco2)o1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1nnc(-c2ccco2)o1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 327.25 | Num_heavy_atoms: | 23 |
| TPSA: | 179.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD27907
Formula: C6H5O2N3
Smiles:
Nc1nnc(-c2ccco2)o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.12 | Num_heavy_atoms: | 11 |
| TPSA: | 78.08 | NumAromaticRings: | 2 |
