Glycoside
GD155631
Name:
[({[5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acidFormula:
C10H14O12N4P2Smiles:
O=P(O)(O)OP(=O)(O)OCC1OC(n2cnc3c(O)nc(O)nc32)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)O.Oc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.19 | Num_heavy_atoms: | 28 |
| TPSA: | 247.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD12557
Formula: C5H3O2N4
Smiles:
Oc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
