Glycoside
GD116228
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,5-bis(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoateFormula:
C34H50O17Smiles:
CC(C)=CCc1cc(C(=O)OC2OC(CO)C(O)C(O)C2O)cc(CC=C(C)C)c1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.68 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 730.76 | Num_heavy_atoms: | 51 |
| TPSA: | 274.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD46118
Formula: C17H22O3
Smiles:
CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)C)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
