Glycoside
GD030237
Name:
NoneFormula:
C15H19O7N3SSmiles:
O=S(=O)(Cc1cn(-c2ccccc2)nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=[S](=O)Cc1cn(-c2ccccc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.4 | Num_heavy_atoms: | 26 |
| TPSA: | 155.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD08100
Formula: C9H8O2N3S
Smiles:
O=[S](=O)Cc1cn(-c2ccccc2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 222.25 | Num_heavy_atoms: | 15 |
| TPSA: | 64.85 | NumAromaticRings: | 2 |
