Glycoside
GD152967
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 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoateFormula:
C35H42O15Smiles:
CC(O)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)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: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 14 |
| MolWt: | 702.71 | Num_heavy_atoms: | 50 |
| TPSA: | 253.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD60863
Formula: C29H32O10
Smiles:
CC(O)C(O)(Cc1ccc(O)cc1)C(=O)OC(C)C(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 540.57 | Num_heavy_atoms: | 39 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
