Glycoside
GD119150
Name:
1-{4-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-oneFormula:
C26H30O13Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(OC2OC(CO)C(OC3OCC(O)(CO)C3O)C(O)C2O)cc1OAglycone:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD01876
Formula: C15H12O4
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
