Glycoside
GD017258
Name:
NoneFormula:
C12H16O6N2SSmiles:
C=CCSc1cn(O[C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=OAglycone:
C=CCSc1cn(O)c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)CC1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 316.34 | Num_heavy_atoms: | 21 |
| TPSA: | 113.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD12334
Formula: C7H8O3N2S
Smiles:
C=CCSc1cn(O)c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 200.22 | Num_heavy_atoms: | 13 |
| TPSA: | 75.09 | NumAromaticRings: | 1 |
