Glycoside
GD013985
Name:
NoneFormula:
C17H23O8N5SSmiles:
CO[C@@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.47 | Num_heavy_atoms: | 31 |
| TPSA: | 199.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD10363
Formula: C11H13O3N5S
Smiles:
Cn1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)nn1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.32 | Num_heavy_atoms: | 20 |
| TPSA: | 119.97 | NumAromaticRings: | 2 |
