Glycoside
GD155203
Name:
1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop-2-en-1-oneFormula:
C29H36O16Smiles:
COc1cc(C=C(C)C(=O)c2c(O)cc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc2O)ccc1OAglycone:
COc1cc(C=C(C)C(=O)c2c(O)cc(O)cc2O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD61577
Formula: C17H16O6
Smiles:
COc1cc(C=C(C)C(=O)c2c(O)cc(O)cc2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
