Glycoside
GD101118
Name:
NoneFormula:
C21H26O8N2S2Smiles:
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)c1Aglycone:
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.58 | Num_heavy_atoms: | 33 |
| TPSA: | 156.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD42737
Formula: C15H16O3N2S2
Smiles:
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S)cc2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.44 | Num_heavy_atoms: | 22 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
