Glycoside
GD130190
Name:
3-hydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylic acidFormula:
C22H26O12Smiles:
O=C(C=Cc1ccc(O)cc1)OC1CC(C(=O)O)=CC(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)cc1)OC1CC(C(=O)O)=CC(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD52751
Formula: C16H16O7
Smiles:
O=C(C=Cc1ccc(O)cc1)OC1CC(C(=O)O)=CC(O)C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
