Glycoside
GD140121
Name:
(4-chlorophenoxy)({5-[2-(2-methylpropanamido)-6-oxo-6,9-dihydro-1H-purin-9-yl]-3-[(4-oxopentanoyl)oxy]oxolan-2-yl}oxy)phosphinic acidFormula:
C25H27O10N5PClSmiles:
CC(=O)CCC(=O)OC1CC(n2cnc3c(O)nc(N=C(O)C(C)C)nc32)OC1OP(=O)(O)Oc1ccc(Cl)cc1Aglycone:
CC(=O)CCC(=O)O.CC(C)C(O)=Nc1nc(O)c2c(n1)[N]C=N2.O=P(O)(O)Oc1ccc(Cl)cc1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 611.93 | Num_heavy_atoms: | 41 |
| TPSA: | 204.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD03365
Formula: C5H8O3
Smiles:
CC(=O)CCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD56495
Formula: C9H10O2N5
Smiles:
CC(C)C(O)=Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.21 | Num_heavy_atoms: | 16 |
| TPSA: | 105.06 | NumAromaticRings: | 1 |
AD56496
Formula: C7H6O4PCl
Smiles:
O=P(O)(O)Oc1ccc(Cl)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.54 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
