Glycoside
GD153857
Name:
2-[({1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acidFormula:
C12H19O8N3S2Smiles:
O=S(=O)(O)CCNCc1cn(C2OC(CO)C(O)C2O)c(=S)nc1OAglycone:
O=S(=O)(O)CCNCc1c[nH]c(=S)nc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.43 | Num_heavy_atoms: | 25 |
| TPSA: | 174.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD61159
Formula: C7H11O4N3S2
Smiles:
O=S(=O)(O)CCNCc1c[nH]c(=S)nc1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 265.32 | Num_heavy_atoms: | 16 |
| TPSA: | 115.31 | NumAromaticRings: | 1 |
