Glycoside
GD096084
Name:
NoneFormula:
C21H24O8N2S2Smiles:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)ccc21Aglycone:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(S)cc3)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.56 | Num_heavy_atoms: | 33 |
| TPSA: | 156.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD40864
Formula: C15H14O3N2S2
Smiles:
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(S)cc3)ccc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.42 | Num_heavy_atoms: | 22 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
