Glycoside
GD066422
Name:
NoneFormula:
C13H16O8N2SSmiles:
Nc1cccc2c1CS(=O)(=O)N2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1cccc2c1CS(=O)(=O)N2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.34 | Num_heavy_atoms: | 24 |
| TPSA: | 178.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD31811
Formula: C7H8O2N2S
Smiles:
Nc1cccc2c1CS(=O)(=O)N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.22 | Num_heavy_atoms: | 12 |
| TPSA: | 72.19 | NumAromaticRings: | 1 |
