Glycoside
GD119963
Name:
[6-({2-[4-(acetyloxy)phenyl]-5,7-dihydroxy-4-oxo-4H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C32H28O14Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc1Aglycone:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.56 | Num_heavy_atoms: | 46 |
| TPSA: | 222.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48141
Formula: C17H12O7
Smiles:
CC(=O)Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
