Glycoside
GD152447
Name:
2-(3,4-dihydroxyphenyl)ethyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-{2-[(3-phenylprop-2-enoyl)oxy]ethylidene}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C41H44O17Smiles:
O=C(C=Cc1ccccc1)OCC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCCc1ccc(O)c(O)c1Aglycone:
O=C(C=Cc1ccccc1)OCC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.34 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 16 |
| MolWt: | 808.79 | Num_heavy_atoms: | 58 |
| TPSA: | 268.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD60699
Formula: C35H34O12
Smiles:
O=C(C=Cc1ccccc1)OCC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 646.65 | Num_heavy_atoms: | 47 |
| TPSA: | 189.28 | NumAromaticRings: | 3 |
