Glycoside
GD125804
Name:
methyl 2-{1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}acetateFormula:
C12H16O7N2SSmiles:
COC(=O)Cc1cn(C2OC(CO)C(O)C2O)c(=S)nc1OAglycone:
COC(=O)Cc1c[nH]c(=S)nc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.33 | Num_heavy_atoms: | 22 |
| TPSA: | 134.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD50887
Formula: C7H8O3N2S
Smiles:
COC(=O)Cc1c[nH]c(=S)nc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 200.22 | Num_heavy_atoms: | 13 |
| TPSA: | 75.21 | NumAromaticRings: | 1 |
