Glycoside
GD001467
Name:
NoneFormula:
C20H22O7N2S2Smiles:
Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.54 | Num_heavy_atoms: | 31 |
| TPSA: | 149.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD01468
Formula: C14H12O2N2S2
Smiles:
Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.4 | Num_heavy_atoms: | 20 |
| TPSA: | 59.06 | NumAromaticRings: | 3 |
