Glycoside
GD039456
Name:
3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acidFormula:
C19H21O9N4PSmiles:
O=C(O)CCc1cccc(-c2ncnc3c2ncn3[C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1Aglycone:
COP(=O)(O)O.O=C(O)CCc1cccc(-c2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 480.37 | Num_heavy_atoms: | 33 |
| TPSA: | 197.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24415
Formula: C14H11O2N4
Smiles:
O=C(O)CCc1cccc(-c2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.27 | Num_heavy_atoms: | 20 |
| TPSA: | 89.54 | NumAromaticRings: | 2 |
