Glycoside
GD037689
Name:
n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamineFormula:
C15H21O6N3SSmiles:
COc1ccc(C=NNC(=S)N[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
COc1ccc(C=NNC(N)=S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.42 | Num_heavy_atoms: | 25 |
| TPSA: | 135.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD02175
Formula: C9H11ON3S
Smiles:
COc1ccc(C=NNC(N)=S)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 209.27 | Num_heavy_atoms: | 14 |
| TPSA: | 59.64 | NumAromaticRings: | 1 |
