Glycoside
GD131026
Name:
methyl 4-[2-(2,5-dihydroxybenzoyloxy)ethyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C24H30O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)c1cc(O)ccc1OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD53097
Formula: C18H20O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)c1cc(O)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
