Glycoside
GD053312
Name:
NoneFormula:
C13H19O5N3SSmiles:
OC[C@@H]1O[C@](CO)(NNC(=S)Nc2ccccc2)[C@@H](O)[C@@H]1OAglycone:
NNC(=S)Nc1ccccc1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.38 | Num_heavy_atoms: | 22 |
| TPSA: | 126.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD27206
Formula: C7H9N3S
Smiles:
NNC(=S)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.24 | Num_heavy_atoms: | 11 |
| TPSA: | 50.08 | NumAromaticRings: | 1 |
