Glycoside
GD146592
Name:
bis({[({[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acidFormula:
C20H31O30N10P7Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(O)nc(=N)[nH]c65)C(O)C4O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.N=c1nc(O)c2c([nH]1)[N]C=N2.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.5 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 20 |
| MolWt: | 1108.33 | Num_heavy_atoms: | 67 |
| TPSA: | 615.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD20295
Formula: C2H13O22P7
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 22 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 605.92 | Num_heavy_atoms: | 31 |
| TPSA: | 334.94 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
