Glycoside
GD137895
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(acetyloxy)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoateFormula:
C26H32O12Smiles:
CC(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD55689
Formula: C20H22O7
Smiles:
CC(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
