Glycoside
GD052345
Name:
NoneFormula:
C14H16O5N2SSmiles:
Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=S)o2)cc1Aglycone:
Cc1ccc(-c2n[nH]c(=S)o2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.36 | Num_heavy_atoms: | 22 |
| TPSA: | 100.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD27143
Formula: C9H8ON2S
Smiles:
Cc1ccc(-c2n[nH]c(=S)o2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.24 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 2 |
