Glycoside
GD152011
Name:
methyl 3-(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethylidene)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C35H40O16Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCOC(=O)C=Cc2ccc(O)c(OC)c2)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCOC(=O)C=Cc2ccc(O)c(OC)c2)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 716.69 | Num_heavy_atoms: | 51 |
| TPSA: | 237.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD60563
Formula: C29H30O11
Smiles:
COC(=O)C1=COC(O)C(=CCOC(=O)C=Cc2ccc(O)c(OC)c2)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 158.05 | NumAromaticRings: | 2 |
