Glycoside
GD045449
Name:
NoneFormula:
C11H15O4NSSmiles:
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H]1Nc2ccccc2S1Aglycone:
c1ccc2c(c1)NCS2Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.31 | Num_heavy_atoms: | 17 |
| TPSA: | 92.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD25253
Formula: C7H7NS
Smiles:
c1ccc2c(c1)NCS2| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.21 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
