Glycoside
GD142842
Name:
3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxo-4-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]butanoic acidFormula:
C24H28O12Smiles:
O=C(O)CC(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C(O)CC(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD57472
Formula: C18H18O7
Smiles:
O=C(O)CC(O)(Cc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
