Glycoside
GD020389
Name:
NoneFormula:
C21H22O12N2SSmiles:
O=C(CNS(=O)(=O)c1ccccc1C(=O)O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
O=C(CNS(=O)(=O)c1ccccc1C(=O)O)Nc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.48 | Num_heavy_atoms: | 36 |
| TPSA: | 229.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD14082
Formula: C15H14O6N2S
Smiles:
O=C(CNS(=O)(=O)c1ccccc1C(=O)O)Nc1ccc(O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.35 | Num_heavy_atoms: | 24 |
| TPSA: | 132.8 | NumAromaticRings: | 2 |
