Glycoside
GD103177
Name:
NoneFormula:
C19H23O5N7SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)Nc3cccnc3)ncnc21Aglycone:
COCCO.S=C(Nc1cccnc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 148.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD37904
Formula: C11H8N7S
Smiles:
S=C(Nc1cccnc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.3 | Num_heavy_atoms: | 19 |
| TPSA: | 89.19 | NumAromaticRings: | 2 |
