Glycoside
GD031843
Name:
NoneFormula:
C12H13O7N3SSmiles:
O=C(N[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O)n1sc2ncccc2c1=OAglycone:
NC(=O)n1sc2ncccc2c1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 343.32 | Num_heavy_atoms: | 23 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD20484
Formula: C7H5O2N3S
Smiles:
NC(=O)n1sc2ncccc2c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 195.2 | Num_heavy_atoms: | 13 |
| TPSA: | 77.98 | NumAromaticRings: | 2 |
