Glycoside
GD157981
Name:
4-amino-7-[3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrileFormula:
C18H23O9N5Smiles:
N#Cc1cn(C2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)c2ncnc(N)c12Aglycone:
N#CC1=C[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.41 | Num_heavy_atoms: | 32 |
| TPSA: | 229.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD02688
Formula: C7H4N5
Smiles:
N#CC1=C[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
