Glycoside
GD088592
Name:
NoneFormula:
C18H22O8N2SSmiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ncccc1OCc1ccccc1Aglycone:
NS(=O)(=O)c1ncccc1OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.45 | Num_heavy_atoms: | 29 |
| TPSA: | 158.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD38765
Formula: C12H12O3N2S
Smiles:
NS(=O)(=O)c1ncccc1OCc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.31 | Num_heavy_atoms: | 18 |
| TPSA: | 82.28 | NumAromaticRings: | 2 |
