Glycoside
GD122609
Name:
[6-(2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C21H22O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccc(O)cc2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.Oc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD22395
Formula: C6H6O3
Smiles:
Oc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
