[(3R,4R,5S)-5-{[(3R,4R,5R,6S)-6-{[(2R,3S,4S,5R,6R)-6-[(S)-cyano(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2E)-3-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy
AlkaPlorer ID: AK532238
Synonym: None
IUPAC Name: [5-[(3R,4R,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(S)-cyano-(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Structure
SMILES: N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](OC3OCC(O)(COC(=O)/C=C/C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=C4)C3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC(O)=C1
InChI: InChI=1S/C39H49NO23/c40-10-21(17-2-1-3-18(42)9-17)60-37-33(52)30(49)27(46)23(62-37)12-55-35-31(50)28(47)24(13-56-35)63-38-34(53)39(54,15-58-38)14-57-25(44)7-5-16-4-6-20(19(43)8-16)59-36-32(51)29(48)26(45)22(11-41)61-36/h1-9,21-24,26-38,41-43,45-54H,11-15H2/b7-5+/t21-,22-,23-,24-,26-,27-,28+,29+,30+,31-,32-,33-,34?,35-,36-,37-,38?,39?/m1/s1
InChIKey: TZFKCHSUEPOYIV-HYSOHNNRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xeranthemum cylindraceum | Xeranthemum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 899.8050000000009
TPSA？: 386.9200000000001
MolLogP？: -5.149819999999984
Number of H-Donors: 13
Number of H-Acceptors: 24
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|