Glycoside
GD000353
Name:
NoneFormula:
C18H23O7N3SSmiles:
Cc1nc(NCc2ccc([N+](=O)[O-])cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1nc(NCc2ccc([N+](=O)[O-])cc2)sc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.46 | Num_heavy_atoms: | 29 |
| TPSA: | 158.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00399
Formula: C12H13O2N3S
Smiles:
Cc1nc(NCc2ccc([N+](=O)[O-])cc2)sc1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.32 | Num_heavy_atoms: | 18 |
| TPSA: | 68.06 | NumAromaticRings: | 2 |
