Glycoside
GD006492
Name:
NoneFormula:
C18H20O4N4SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(CSCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CSCc3ccccc3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.45 | Num_heavy_atoms: | 27 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD05367
Formula: C13H11N4S
Smiles:
C1=Nc2c(CSCc3ccccc3)ncnc2[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 255.33 | Num_heavy_atoms: | 18 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
