Glycoside
GD037675
Name:
n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamineFormula:
C13H18O5N4SSmiles:
OC[C@H]1O[C@H](NC(=S)NN=Cc2ccncc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
NC(=S)NN=Cc1ccncc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.38 | Num_heavy_atoms: | 23 |
| TPSA: | 139.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD01945
Formula: C7H8N4S
Smiles:
NC(=S)NN=Cc1ccncc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.24 | Num_heavy_atoms: | 12 |
| TPSA: | 63.3 | NumAromaticRings: | 1 |
