Glycoside
GD123862
Name:
{3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methyl 2-(5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl)acetateFormula:
C34H44O17Smiles:
C=CCc1ccc(OC2OC(COC(=O)CC3CC4C(=COC(OC5OC(CO)C(O)C(O)C5O)C4C=C)C(=O)O3)C(O)C(O)C2O)c(OC)c1Aglycone:
C=CC1C(O)OC=C2C(=O)OC(CC(=O)OC)CC21.C=CCc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 13 |
| MolWt: | 724.71 | Num_heavy_atoms: | 51 |
| TPSA: | 249.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD02253
Formula: C10H12O2
Smiles:
C=CCc1ccc(O)c(OC)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD50010
Formula: C13H16O6
Smiles:
C=CC1C(O)OC=C2C(=O)OC(CC(=O)OC)CC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
