Glycoside
GD121881
Name:
methyl 4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3-[2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethylidene]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C39H48O21Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CCOC(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C(=CCOC(=O)c2ccc(O)c(OC)c2)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.51 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 16 |
| MolWt: | 852.79 | Num_heavy_atoms: | 60 |
| TPSA: | 316.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD49082
Formula: C27H28O11
Smiles:
COC(=O)C1=COC(O)C(=CCOC(=O)c2ccc(O)c(OC)c2)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 158.05 | NumAromaticRings: | 2 |
