Fagraeoside
AlkaPlorer ID: AK298235
Synonym: None
IUPAC Name: 7-ethenyl-2,12-dioxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxa-1,11-diazatricyclo[8.4.0.03,8]tetradec-3-ene-14-carboxylic acid
Structure
SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3C(CC21)NC(=O)CC3C(=O)O
InChI: InChI=1S/C20H26N2O11/c1-2-7-8-3-12-21-13(24)4-10(18(29)30)22(12)17(28)9(8)6-31-19(7)33-20-16(27)15(26)14(25)11(5-23)32-20/h2,6-8,10-12,14-16,19-20,23,25-27H,1,3-5H2,(H,21,24)(H,29,30)
InChIKey: UBHKTGRDNACVRQ-UHFFFAOYSA-N
Reference
CAS: 1309603-12-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fagraea racemosa | Fagraea | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 470.43100000000027
TPSA？: 195.32
MolLogP？: -3.006999999999993
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|