Glycoside
GD138272
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-carboxylateFormula:
C29H42O14Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc2c1OC(C(C)(C)O)C2Aglycone:
COC(=O)c1cc(CC=C(C)C)c2c(c1)CC(C(C)(C)O)O2Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 614.64 | Num_heavy_atoms: | 43 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD55833
Formula: C18H24O4
Smiles:
COC(=O)c1cc(CC=C(C)C)c2c(c1)CC(C(C)(C)O)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
