Glycoside
GD098076
Name:
NoneFormula:
C19H22O6N6S2Smiles:
CNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@H](O)S(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1OAglycone:
CNC(=S)Nc1ncnc2c1N=C[N]2.Cc1ccc(S(=O)(=O)CO)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.56 | Num_heavy_atoms: | 33 |
| TPSA: | 171.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD27652
Formula: C7H7N6S
Smiles:
CNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 207.24 | Num_heavy_atoms: | 14 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
AD37140
Formula: C8H10O3S
Smiles:
Cc1ccc(S(=O)(=O)CO)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.23 | Num_heavy_atoms: | 12 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
