Glycoside
GD021385
Name:
NoneFormula:
C9H12O6N2Smiles:
O=c1c[n+]([O-])ccn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1c[n+]([O-])cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.2 | Num_heavy_atoms: | 17 |
| TPSA: | 118.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD14634
Formula: C4H4O2N2
Smiles:
O=c1c[n+]([O-])cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 59.8 | NumAromaticRings: | 1 |
