Glycoside
GD148383
Name:
11-acetyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,9,13-trioxatetracyclo[6.5.1.0¹,¹â°.0â´,¹â´]tetradeca-2,5-dien-12-oneFormula:
C20H24O11Smiles:
CC(=O)C1C(=O)OC23C=CC4C(COC5OC(CO)C(O)C(O)C5O)=COC(OC12)C43Aglycone:
CC(=O)C1C(=O)OC23C=CC4C(CO)=COC(OC12)C43Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.4 | Num_heavy_atoms: | 31 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59378
Formula: C14H14O6
Smiles:
CC(=O)C1C(=O)OC23C=CC4C(CO)=COC(OC12)C43| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.26 | Num_heavy_atoms: | 20 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
