Glycoside
GD143249
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 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:
C29H42O14Smiles:
CC(C)=CCc1cc(C(=O)OC2OC(CO)C(O)C(O)C2O)cc(C=CC(C)(C)O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)O)cc(C=CC(C)(C)O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 614.64 | Num_heavy_atoms: | 43 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD57626
Formula: C17H22O4
Smiles:
CC(C)=CCc1cc(C(=O)O)cc(C=CC(C)(C)O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.36 | Num_heavy_atoms: | 21 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
