Glycoside
GD049543
Name:
NoneFormula:
C12H16O6N2SSmiles:
O=C(/C=C/c1nccs1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)C=Cc1nccs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.34 | Num_heavy_atoms: | 21 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD26232
Formula: C6H6ON2S
Smiles:
NC(=O)C=Cc1nccs1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.19 | Num_heavy_atoms: | 10 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
