Glycoside
GD136586
Name:
3,5-dihydroxy-4-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-dien-1-oneFormula:
C21H22O11Smiles:
O=C1C=C(O)C(=C(O)C=Cc2ccc(O)cc2)C(O)=C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C1C=C(O)C(=C(O)C=Cc2ccc(O)cc2)C(O)=C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 197.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD55218
Formula: C15H12O6
Smiles:
O=C1C=C(O)C(=C(O)C=Cc2ccc(O)cc2)C(O)=C1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
