Glycoside
GD043187
Name:
NoneFormula:
C9H13O5N3SSmiles:
Nc1cc(=O)[nH]c(S[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)n1Aglycone:
Nc1cc(=O)[nH]c(S)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.29 | Num_heavy_atoms: | 18 |
| TPSA: | 141.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD24903
Formula: C4H5ON3S
Smiles:
Nc1cc(=O)[nH]c(S)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.17 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
