Glycoside
GD100666
Name:
NoneFormula:
C19H22O6N4S2Smiles:
O=S(=O)(Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cc2c(s1)CCCC2Aglycone:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cc2c(s1)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.54 | Num_heavy_atoms: | 31 |
| TPSA: | 146.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD42498
Formula: C14H13O2N4S2
Smiles:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cc2c(s1)CCCC2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.42 | Num_heavy_atoms: | 22 |
| TPSA: | 86.05 | NumAromaticRings: | 2 |
