Glycoside
GD142635
Name:
2-(5-{[(4,5-dihydroxycyclopent-2-en-1-yl)amino]methyl}-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H23O7N5Smiles:
N=c1nc(O)c2c(CNC3C=CC(O)C3O)cn(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C=C2CNC1C=CC(O)C1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| TPSA: | 200.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD57396
Formula: C12H14O3N5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=C2CNC1C=CC(O)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.28 | Num_heavy_atoms: | 20 |
| TPSA: | 139.35 | NumAromaticRings: | 1 |
