Glycoside
GD091572
Name:
NoneFormula:
C19H18O8N2SSmiles:
O=C(c1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)no1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
O=S(=O)(c1ccccc1)c1ccc(-c2ncon2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.43 | Num_heavy_atoms: | 30 |
| TPSA: | 171.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD39962
Formula: C14H10O3N2S
Smiles:
O=S(=O)(c1ccccc1)c1ccc(-c2ncon2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.31 | Num_heavy_atoms: | 20 |
| TPSA: | 73.06 | NumAromaticRings: | 3 |
