Glycoside
GD031751
Name:
NoneFormula:
C23H21O8N5SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)Oc3ccccc3)cc2)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(S(=O)(=O)Oc2ccccc2)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 527.52 | Num_heavy_atoms: | 37 |
| TPSA: | 188.98 | 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 |
AD20438
Formula: C14H12O5S
Smiles:
COC(=O)c1ccc(S(=O)(=O)Oc2ccccc2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 292.31 | Num_heavy_atoms: | 20 |
| TPSA: | 69.67 | NumAromaticRings: | 2 |
