Glycoside
GD136553
Name:
[3,4-bis(acetyloxy)-5-(9H-purin-9-yl)oxolan-2-yl]methyl acetateFormula:
C16H18O7N4Smiles:
CC(=O)OCC1OC(n2cnc3cncnc32)C(OC(C)=O)C1OC(C)=OAglycone:
C1=Nc2cncnc2[N]1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.34 | Num_heavy_atoms: | 27 |
| TPSA: | 131.73 | NumAromaticRings: | 2 |
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 |
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
