Glycoside
GD138882
Name:
1-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-oneFormula:
C26H30O15Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)c(O)c1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 256.29 | 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 |
