Glycoside
GD156332
Name:
{[3,4-dihydroxy-5-(2,6,8-trioxo-2,3,6,7,8,9-hexahydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acidFormula:
C10H13O10N4PSmiles:
O=P(O)(O)OCC1OC(n2c(O)nc3c(O)nc(O)nc32)C(O)C1OAglycone:
COP(=O)(O)O.OC1=Nc2c(O)nc(O)nc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.21 | Num_heavy_atoms: | 25 |
| TPSA: | 220.74 | 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 |
AD61268
Formula: C5H3O3N4
Smiles:
OC1=Nc2c(O)nc(O)nc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.1 | Num_heavy_atoms: | 12 |
| TPSA: | 112.93 | NumAromaticRings: | 1 |
