Glycoside
GD152600
Name:
3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxo-4-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]butan-2-yl 3-(acetyloxy)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanoateFormula:
C37H44O16Smiles:
CC(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=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)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 744.74 | Num_heavy_atoms: | 53 |
| TPSA: | 259.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD60748
Formula: C31H34O11
Smiles:
CC(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 582.6 | Num_heavy_atoms: | 42 |
| TPSA: | 180.05 | NumAromaticRings: | 3 |
