Glycoside
GD042853
Name:
NoneFormula:
C9H12O5N2SSmiles:
O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
O=c1cc[nH]c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.27 | Num_heavy_atoms: | 17 |
| TPSA: | 107.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD00306
Formula: C4H4ON2S
Smiles:
O=c1cc[nH]c(=S)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
