Glycoside
GD149284
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzoateFormula:
C29H42O13Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc(CC=C(C)C)c1OAglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 598.64 | Num_heavy_atoms: | 42 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD45207
Formula: C18H24O3
Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
