Glycoside
GD022568
Name:
NoneFormula:
C15H16O4N4SSmiles:
C[C@]1(O)C(n2cnc3c(-c4ccsc4)ncnc32)O[C@H](CO)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2ccsc2)[N]1Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.38 | Num_heavy_atoms: | 24 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD01267
Formula: C9H5N4S
Smiles:
C1=Nc2c(ncnc2-c2ccsc2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 201.23 | Num_heavy_atoms: | 14 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
