Glycoside
GD103892
Name:
NoneFormula:
C21H23O5N7SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)Nc3ccccc3C#N)ncnc21Aglycone:
COCCO.N#Cc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 485.53 | Num_heavy_atoms: | 34 |
| TPSA: | 159.6 | 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 |
AD43924
Formula: C13H8N7S
Smiles:
N#Cc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.32 | Num_heavy_atoms: | 21 |
| TPSA: | 100.09 | NumAromaticRings: | 2 |
