Glycoside
GD145289
Name:
2-(2-benzamido-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoateFormula:
C38H29O9N5Smiles:
O=C(OCC1OC(n2cnc3c(O)nc(N=C(O)c4ccccc4)nc32)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.OC(=Nc1nc(O)c2c(n1)[N]C=N2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 699.68 | Num_heavy_atoms: | 52 |
| TPSA: | 184.55 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD58331
Formula: C12H8O2N5
Smiles:
OC(=Nc1nc(O)c2c(n1)[N]C=N2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.23 | Num_heavy_atoms: | 19 |
| TPSA: | 105.06 | NumAromaticRings: | 2 |
