Glycoside
GD003319
Name:
NoneFormula:
C17H22O9N4SSmiles:
CO[C@@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.45 | Num_heavy_atoms: | 31 |
| TPSA: | 196.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD03025
Formula: C11H12O4N4S
Smiles:
Cn1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.31 | Num_heavy_atoms: | 20 |
| TPSA: | 117.17 | NumAromaticRings: | 2 |
