Glycoside
GD119920
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(3-hydroxy-3-methylbut-1-en-1-yl)-5-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C35H52O19Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc(C=CC(C)(C)O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1cc(C=CC(C)(C)O)c(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.69 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 14 |
| MolWt: | 776.78 | Num_heavy_atoms: | 54 |
| TPSA: | 315.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD48123
Formula: C18H24O4
Smiles:
COC(=O)c1cc(C=CC(C)(C)O)c(O)c(CC=C(C)C)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
