Glycoside
GD138326
Name:
[4-hydroxy-8-oxo-1-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenoxy)methyl]oxan-2-yl}oxy)-7-oxatricyclo[4.3.0.0³,â¹]nonan-9-yl]methyl benzoateFormula:
C28H30O14Smiles:
O=C(OCC12C(=O)OC3CC(O)C1CC32OC1OC(COc2cc(O)c(O)c(O)c2)C(O)C(O)C1O)c1ccccc1Aglycone:
COc1cc(O)c(O)c(O)c1.O=C(OCC12C(=O)OC3CC(O)C1CC32O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD47648
Formula: C7H8O4
Smiles:
COc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
AD51118
Formula: C16H16O6
Smiles:
O=C(OCC12C(=O)OC3CC(O)C1CC32O)c1ccccc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
