3,4-dihydroxy-5-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-3-[(1-methoxy-1H-indol-3-yl)methyl]oxolan-2-one
AlkaPlorer ID: AK461141
Synonym: None
IUPAC Name: (3S,4R,5S)-3,4-dihydroxy-5-[(1S)-2-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3-[(1-methoxyindol-3-yl)methyl]oxolan-2-one
Structure
SMILES: CON1C=C(C[C@@]2(O)C(=O)O[C@H]([C@H](CO)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)C2=CC=CC=C21
InChI: InChI=1S/C22H29NO12/c1-32-23-7-10(11-4-2-3-5-12(11)23)6-22(31)19(29)18(35-21(22)30)14(9-25)34-20-17(28)16(27)15(26)13(8-24)33-20/h2-5,7,13-20,24-29,31H,6,8-9H2,1H3/t13-,14+,15-,16+,17-,18-,19-,20+,22+/m1/s1
InChIKey: MVJFBVCVQFCINF-YMHAVMDLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eutrema salsugineum | Eutrema | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 499.46900000000016
TPSA？: 200.53
MolLogP？: -3.562999999999996
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|