Glycoside
GD142715
Name:
3-{2,4-dihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]phenyl}-1-(4-hydroxyphenyl)prop-2-en-1-oneFormula:
C21H22O9Smiles:
O=C(C=Cc1ccc(O)c(CC2OC(O)C(O)C(O)C2O)c1O)c1ccc(O)cc1Aglycone:
Cc1c(O)ccc(C=CC(=O)c2ccc(O)cc2)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 167.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD57425
Formula: C16H14O4
Smiles:
Cc1c(O)ccc(C=CC(=O)c2ccc(O)cc2)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
