Glycoside
GD037687
Name:
n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamineFormula:
C14H18O5N3SBrSmiles:
OC[C@H]1O[C@H](NC(=S)NN=Cc2ccc(Br)cc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
NC(=S)NN=Cc1ccc(Br)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.29 | Num_heavy_atoms: | 24 |
| TPSA: | 126.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD16442
Formula: C8H8N3SBr
Smiles:
NC(=S)NN=Cc1ccc(Br)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.14 | Num_heavy_atoms: | 13 |
| TPSA: | 50.41 | NumAromaticRings: | 1 |
