Glycoside
GD033175
Name:
NoneFormula:
C20H22O4N6Smiles:
Cc1ccc(OC[C@@H]2O[C@H](n3c(N)c(C#N)c4c(N)ncnc43)[C@@](C)(O)[C@H]2O)cc1Aglycone:
COc1ccc(C)cc1.N#CC1=C(N)[N]c2ncnc(N)c21Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.43 | Num_heavy_atoms: | 30 |
| TPSA: | 165.46 | NumAromaticRings: | 3 |
Unique Aglycone
AD01981
Formula: C8H10O
Smiles:
COc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD03349
Formula: C7H5N6
Smiles:
N#CC1=C(N)[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 173.16 | Num_heavy_atoms: | 13 |
| TPSA: | 115.71 | NumAromaticRings: | 1 |
