Glycoside
GD100750
Name:
NoneFormula:
C17H17O5N6ClS2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)c4cnccc4Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cnccc1ClSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.94 | Num_heavy_atoms: | 30 |
| TPSA: | 152.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD42552
Formula: C11H6O2N6ClS
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cnccc1Cl| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.72 | Num_heavy_atoms: | 20 |
| TPSA: | 111.3 | NumAromaticRings: | 2 |
