Glycoside
GD091568
Name:
NoneFormula:
C20H20O8N2SSmiles:
O=C(c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=S(=O)(Cc1ccccc1-c1ncon1)c1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.45 | Num_heavy_atoms: | 31 |
| TPSA: | 171.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD39958
Formula: C15H12O3N2S
Smiles:
O=S(=O)(Cc1ccccc1-c1ncon1)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.34 | Num_heavy_atoms: | 21 |
| TPSA: | 73.06 | NumAromaticRings: | 3 |
