Glycoside
GD014095
Name:
NoneFormula:
C21H24O7N2S2Smiles:
Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.56 | Num_heavy_atoms: | 32 |
| TPSA: | 149.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD10422
Formula: C15H14O2N2S2
Smiles:
Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.42 | Num_heavy_atoms: | 21 |
| TPSA: | 59.06 | NumAromaticRings: | 3 |
