Glycoside
GD121072
Name:
4-(acetyloxy)-5-(hydroxymethyl)-2-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl acetateFormula:
C13H16O7N2SSmiles:
CC(=O)OC1C(CO)OC(n2ccc(S)nc2=O)C1OC(C)=OAglycone:
O=c1nc(S)cc[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.35 | Num_heavy_atoms: | 23 |
| TPSA: | 116.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD48701
Formula: C4H4ON2S
Smiles:
O=c1nc(S)cc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
