Glycoside
GD137500
Name:
methyl 7-[4-bromo-2-hydroxy-2-(octa-2,5-dien-1-yl)-5-oxocyclopent-3-en-1-ylidene]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-enoateFormula:
C27H37O10BrSmiles:
CCC=CCC=CCC1(O)C=C(Br)C(=O)C1=CC=CC(CCC(=O)OC)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC=CCC1(O)C=C(Br)C(=O)C1=CC=CC(O)CCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 13 |
| MolWt: | 601.49 | Num_heavy_atoms: | 38 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD55548
Formula: C21H27O5Br
Smiles:
CCC=CCC=CCC1(O)C=C(Br)C(=O)C1=CC=CC(O)CCC(=O)OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 439.35 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
