Glycoside
GD126610
Name:
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(methylamino)methyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-oneFormula:
C11H17O5N3SSmiles:
CNCc1cn(C2OC(CO)C(O)C2O)c(=S)nc1OAglycone:
CNCc1c[nH]c(=S)nc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.34 | Num_heavy_atoms: | 20 |
| TPSA: | 120.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD51243
Formula: C6H9ON3S
Smiles:
CNCc1c[nH]c(=S)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 171.22 | Num_heavy_atoms: | 11 |
| TPSA: | 60.94 | NumAromaticRings: | 1 |
