Glycoside
GD114955
Name:
N-{9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamideFormula:
C27H24O8N6Smiles:
O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)C(O)=Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1Aglycone:
O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)C(O)=Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.52 | Num_heavy_atoms: | 41 |
| TPSA: | 203.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD45380
Formula: C22H15O4N6
Smiles:
O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)C(O)=Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.4 | Num_heavy_atoms: | 32 |
| TPSA: | 142.44 | NumAromaticRings: | 3 |
