Glycoside
GD015464
Name:
NoneFormula:
C11H12O6N2SSmiles:
C#CSc1cn(O[C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=OAglycone:
C#CSc1cn(O)c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)CC1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.29 | Num_heavy_atoms: | 20 |
| TPSA: | 113.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD11232
Formula: C6H4O3N2S
Smiles:
C#CSc1cn(O)c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.18 | Num_heavy_atoms: | 12 |
| TPSA: | 75.09 | NumAromaticRings: | 1 |
