Glycoside
GD076828
Name:
NoneFormula:
C17H20O6N2SSmiles:
Cc1ccc(SCc2cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(=O)[nH]c2=O)cc1Aglycone:
Cc1ccc(SCc2c[nH]c(=O)[nH]c2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.42 | Num_heavy_atoms: | 26 |
| TPSA: | 124.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD35316
Formula: C12H12O2N2S
Smiles:
Cc1ccc(SCc2c[nH]c(=O)[nH]c2=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.31 | Num_heavy_atoms: | 17 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
