Glycoside
GD135423
Name:
methyl 2-[(3,4-dihydroxyphenyl)methyl]-6-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxohex-5-enoateFormula:
C26H30O12Smiles:
COC(=O)C(CC(=O)C=Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)Cc1ccc(O)c(O)c1Aglycone:
COC(=O)C(CC(=O)C=Cc1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD54760
Formula: C20H20O7
Smiles:
COC(=O)C(CC(=O)C=Cc1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
