Glycoside
GD139967
Name:
[4-hydroxy-8-oxo-1-({3,4,5-trihydroxy-6-[(4-hydroxyphenoxy)methyl]oxan-2-yl}oxy)-7-oxatricyclo[4.3.0.0³,â¹]nonan-9-yl]methyl benzoateFormula:
C28H30O12Smiles:
O=C(OCC12C(=O)OC3CC(O)C1CC32OC1OC(COc2ccc(O)cc2)C(O)C(O)C1O)c1ccccc1Aglycone:
COc1ccc(O)cc1.O=C(OCC12C(=O)OC3CC(O)C1CC32O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | 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 |
