Glycoside
GD100766
Name:
NoneFormula:
C20H19O6N5S2Smiles:
O=S(=O)(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(-c2cccs2)cc1Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(-c2cccs2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.54 | Num_heavy_atoms: | 33 |
| TPSA: | 159.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD42560
Formula: C15H10O2N5S2
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(-c2cccs2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.41 | Num_heavy_atoms: | 24 |
| TPSA: | 98.41 | NumAromaticRings: | 3 |
