Glycoside
GD091825
Name:
NoneFormula:
C18H23O7N3SSmiles:
CN(c1ccccc1)S(=O)(=O)c1cccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CN(c1ccccc1)S(=O)(=O)c1cccnc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.46 | Num_heavy_atoms: | 29 |
| TPSA: | 152.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD40042
Formula: C12H13O2N3S
Smiles:
CN(c1ccccc1)S(=O)(=O)c1cccnc1N| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 263.32 | Num_heavy_atoms: | 18 |
| TPSA: | 76.29 | NumAromaticRings: | 2 |
