Glycoside
GD008522
Name:
[4-formyl-3-hydroxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethenyl)cyclohexyl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C25H32O12Smiles:
O=C[C@@]1(C=CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@H](COC(=O)C=Cc2ccc(O)c(O)c2)C[C@H]1OAglycone:
O=CC1(C=CO)CCC(COC(=O)C=Cc2ccc(O)c(O)c2)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD06800
Formula: C19H22O7
Smiles:
O=CC1(C=CO)CCC(COC(=O)C=Cc2ccc(O)c(O)c2)CC1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
