Glycoside
GD067402
Name:
NoneFormula:
C12H18O8N2SSmiles:
COc1ncccc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
COc1ncccc1S(N)(=O)=OSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 350.35 | Num_heavy_atoms: | 23 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD31139
Formula: C6H8O3N2S
Smiles:
COc1ncccc1S(N)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.21 | Num_heavy_atoms: | 12 |
| TPSA: | 82.28 | NumAromaticRings: | 1 |
