Glycoside
GD148709
Name:
[(5-{5-amino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0â´,¹²]dodeca-1(11),3,5,8(12),9-pentaen-2-yl}-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acidFormula:
C13H17O7N6PSmiles:
CN1NC(=N)c2cn(C3OC(COP(=O)(O)O)C(O)C3O)c3ncnc1c23Aglycone:
CN1NC(=N)C2=C[N]c3ncnc1c32.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.29 | Num_heavy_atoms: | 27 |
| TPSA: | 186.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD05733
Formula: C8H7N6
Smiles:
CN1NC(=N)C2=C[N]c3ncnc1c32| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.19 | Num_heavy_atoms: | 14 |
| TPSA: | 79.0 | NumAromaticRings: | 1 |
