Glycoside
GD077758
Name:
NoneFormula:
C16H16O5N4SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Sc4ccc(O)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1ccc(Sc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.39 | Num_heavy_atoms: | 26 |
| TPSA: | 133.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD35605
Formula: C11H7ON4S
Smiles:
Oc1ccc(Sc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.27 | Num_heavy_atoms: | 17 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
