Glycoside
GD125581
Name:
1,5-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 3-hydroxy-3-methylpentanedioateFormula:
C32H42O17Smiles:
CC(O)(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(O)(CC(=O)OCc1ccc(O)cc1)CC(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 698.67 | Num_heavy_atoms: | 49 |
| TPSA: | 271.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD50791
Formula: C20H22O7
Smiles:
CC(O)(CC(=O)OCc1ccc(O)cc1)CC(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
