Glycoside
GD039267
Name:
9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dioneFormula:
C11H14O6N4Smiles:
CO[C@@H]1[C@@H](O)C(CO)O[C@H]1n1cnc2c(=O)[nH]c(=O)[nH]c21Aglycone:
O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.26 | Num_heavy_atoms: | 21 |
| TPSA: | 142.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD02805
Formula: C5H3O2N4
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.18 | NumAromaticRings: | 1 |
