Glycoside
GD022118
Name:
NoneFormula:
C11H16O6N2SSmiles:
CC(=O)c1cnc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1Aglycone:
CC(=O)c1cnc(N)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.32 | Num_heavy_atoms: | 20 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD15030
Formula: C5H6ON2S
Smiles:
CC(=O)c1cnc(N)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
