Glycoside
GD038563
Name:
n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)Formula:
C18H24O13N5P3Smiles:
O=P(O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2ccccc2)[N]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 611.33 | Num_heavy_atoms: | 39 |
| TPSA: | 265.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD01394
Formula: C13H12N5
Smiles:
C1=Nc2c(ncnc2NCCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.27 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
