Glycoside
GD129053
Name:
1-{2,3-dihydroxy-4-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]phenyl}-3-(3,4-dihydroxyphenyl)prop-2-en-1-oneFormula:
C21H22O11Smiles:
COC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2O)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD12625
Formula: C15H12O6
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
