Glycoside
GD139742
Name:
8,8-dimethyl-2-oxo-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2H,4aH,8H,9H,10H,10bH-pyrano[2,3-h]chromen-10-yl 2-methylbut-2-enoateFormula:
C31H42O16Smiles:
CC=C(C)C(=O)OC1C2=C(C=CC3C=CC(=O)OC23)OC(C)(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC=C(C)C(=O)OC1C2=C(C=CC3C=CC(=O)OC23)OC(C)(C)C1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD56350
Formula: C19H22O6
Smiles:
CC=C(C)C(=O)OC1C2=C(C=CC3C=CC(=O)OC23)OC(C)(C)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
