Glycoside
GD070230
Name:
NoneFormula:
C15H18O5N2S2Smiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3nccs3)cc2)[C@@H](O)[C@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2nccs2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.45 | Num_heavy_atoms: | 24 |
| TPSA: | 115.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD33263
Formula: C9H8N2S2
Smiles:
Sc1ccc(Nc2nccs2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.31 | Num_heavy_atoms: | 13 |
| TPSA: | 24.92 | NumAromaticRings: | 2 |
