Glycoside
GD155916
Name:
5-hydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-3,5-diene-1,2-dioneFormula:
C21H20O11Smiles:
O=C1C=C(O)C(C(=O)C=Cc2ccc(O)cc2)=C(OC2OC(CO)C(O)C(O)C2O)C1=OAglycone:
O=C1C=C(O)C(C(=O)C=Cc2ccc(O)cc2)=C(O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 191.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD61789
Formula: C15H10O6
Smiles:
O=C1C=C(O)C(C(=O)C=Cc2ccc(O)cc2)=C(O)C1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.9 | NumAromaticRings: | 1 |
