Glycoside
GD126850
Name:
bis({[({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acidFormula:
C20H31O28N10P7Smiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 38 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.5 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 20 |
| MolWt: | 1076.33 | Num_heavy_atoms: | 65 |
| TPSA: | 573.56 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
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 |
