Glycoside
GD123191
Name:
2-(hydroxymethyl)-10-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C24H28O13Smiles:
COc1cc(C=CC(=O)OC2C3C=COC(OC4OC(O)C(O)C(O)C4O)C3C3(CO)OC23)ccc1OAglycone:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 197.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD04098
Formula: C19H20O8
Smiles:
COc1cc(C=CC(=O)OC2C3C=COC(O)C3C3(CO)OC23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
