Glycoside
GD144450
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-5-(3-methylbut-2-en-1-yl)benzoateFormula:
C29H42O14Smiles:
C=C(C)C(O)Cc1cc(C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc(CC=C(C)C)c1OAglycone:
C=C(C)C(O)Cc1cc(C(=O)OC)cc(CC=C(C)C)c1OSugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 614.64 | Num_heavy_atoms: | 43 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD58056
Formula: C18H24O4
Smiles:
C=C(C)C(O)Cc1cc(C(=O)OC)cc(CC=C(C)C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
