Glycoside
GD123028
Name:
1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]thioureaFormula:
C11H16O7N4SSmiles:
OCC1OC(O)C(NC(S)=Nc2cnc(O)nc2O)C(O)C1OAglycone:
NC(S)=Nc1cnc(O)nc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.34 | Num_heavy_atoms: | 23 |
| TPSA: | 180.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD49624
Formula: C5H6O2N4S
Smiles:
NC(S)=Nc1cnc(O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.2 | Num_heavy_atoms: | 12 |
| TPSA: | 104.62 | NumAromaticRings: | 1 |
