Glycoside
GD019149
Name:
NoneFormula:
C25H22O10N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)Oc3ccc(C=C[N+](=O)[O-])cc3)cc2)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=C[N+](=O)[O-])cc2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 232.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13406
Formula: C16H13O7NS
Smiles:
COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=C[N+](=O)[O-])cc2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 363.35 | Num_heavy_atoms: | 25 |
| TPSA: | 112.81 | NumAromaticRings: | 2 |
