Glycoside
GD131258
Name:
4-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxy-5-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehydeFormula:
C24H26O11Smiles:
COc1c(C=O)c(OC2OC(CO)C(O)C(O)C2O)c(C)c(O)c1C(=O)C=Cc1ccc(O)cc1Aglycone:
COc1c(C=O)c(O)c(C)c(O)c1C(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.46 | Num_heavy_atoms: | 35 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD53182
Formula: C18H16O6
Smiles:
COc1c(C=O)c(O)c(C)c(O)c1C(=O)C=Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
