Glycoside
GD143755
Name:
5-[2-({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)ethylidene]-4-methyl-2,5-dihydro-1,3-thiazole-2-carboxylic acidFormula:
C17H22O12N6P2SSmiles:
CC1=NC(C(=O)O)SC1=CCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OCC=C1SC(C(=O)O)N=C1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 596.41 | Num_heavy_atoms: | 38 |
| TPSA: | 271.26 | NumAromaticRings: | 2 |
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 |
AD57797
Formula: C8H13O9NP2S
Smiles:
COP(=O)(O)OP(=O)(O)OCC=C1SC(C(=O)O)N=C1C| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.21 | Num_heavy_atoms: | 21 |
| TPSA: | 151.95 | NumAromaticRings: | 0 |
