Glycoside
GD142221
Name:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(prop-1-yn-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneFormula:
C12H14O6N2Smiles:
CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)nc1OAglycone:
CC#Cc1c[nH]c(=O)nc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.25 | Num_heavy_atoms: | 20 |
| TPSA: | 125.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD57241
Formula: C7H6O2N2
Smiles:
CC#Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
