Glycoside
GD045711
Name:
NoneFormula:
C13H18O4N2SSmiles:
Cc1ccc(C2=NN[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1Aglycone:
Cc1ccc(C2=NNCS2)cc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.36 | Num_heavy_atoms: | 20 |
| TPSA: | 105.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD02203
Formula: C9H10N2S
Smiles:
Cc1ccc(C2=NNCS2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.26 | Num_heavy_atoms: | 12 |
| TPSA: | 24.39 | NumAromaticRings: | 1 |
