Glycoside
GD000978
Name:
NoneFormula:
C15H18O8N4SSmiles:
COC(=O)[C@@H]1O[C@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.4 | Num_heavy_atoms: | 28 |
| TPSA: | 187.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD01018
Formula: C8H7O2N4S
Smiles:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.24 | Num_heavy_atoms: | 15 |
| TPSA: | 98.98 | NumAromaticRings: | 1 |
