Glycoside
GD134677
Name:
[3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl benzoateFormula:
C16H16O6N2SSmiles:
O=C(OCC1OC(n2ccc(S)nc2=O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=c1nc(S)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.38 | Num_heavy_atoms: | 25 |
| TPSA: | 110.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
