Glycoside
GD001032
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-imino-1-methyl-2,3,6,9-tetrahydro-1H-purin-2-oneFormula:
C11H15O5N5Smiles:
Cn1c(=O)[nH]c2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1=NAglycone:
Cn1c(=O)[nH]c2c(c1=N)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.27 | Num_heavy_atoms: | 21 |
| TPSA: | 149.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD01073
Formula: C6H6ON5
Smiles:
Cn1c(=O)[nH]c2c(c1=N)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 88.1 | NumAromaticRings: | 1 |
