Glycoside
GD076790
Name:
NoneFormula:
C16H21O7N5Smiles:
CC(=O)OC[C@@H]1O[C@@H](N2CNc3c(N)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ncnc2c1NCN2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.37 | Num_heavy_atoms: | 28 |
| TPSA: | 155.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD24777
Formula: C5H7N5
Smiles:
Nc1ncnc2c1NCN2| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 75.86 | NumAromaticRings: | 1 |
