Glycoside
GD149819
Name:
butyl 2-[(3,4-dihydroxyphenyl)methyl]-6-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxohex-5-enoateFormula:
C29H36O12Smiles:
CCCCOC(=O)C(CC(=O)C=Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)Cc1ccc(O)c(O)c1Aglycone:
CCCCOC(=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: | 0.45 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 576.6 | Num_heavy_atoms: | 41 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD59888
Formula: C23H26O7
Smiles:
CCCCOC(=O)C(CC(=O)C=Cc1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 414.45 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
