Glycoside
GD131895
Name:
2-{2-[(benzoyloxy)methyl]-4-hydroxyphenoxy}-5-(3,4-dimethoxyphenoxy)-3-hydroxy-6-(hydroxymethyl)oxan-4-yl benzoateFormula:
C35H34O12Smiles:
COc1ccc(OC2C(CO)OC(Oc3ccc(O)cc3COC(=O)c3ccccc3)C(O)C2OC(=O)c2ccccc2)cc1OCAglycone:
COc1ccc(O)cc1OC.O=C(O)c1ccccc1.O=C(OCc1cc(O)ccc1O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 646.65 | Num_heavy_atoms: | 47 |
| TPSA: | 159.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD08042
Formula: C14H12O4
Smiles:
O=C(OCc1cc(O)ccc1O)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
AD12240
Formula: C8H10O3
Smiles:
COc1ccc(O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
