[(3S,4R,5R)-5-{[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl (1R,4aR,7aR)-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(2-methoxybenzoyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,7
AlkaPlorer ID: AK125701
Synonym: None
IUPAC Name: [(3S,4R,5R)-5-[[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl (1R,4aR,7aR)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(2-methoxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Structure
SMILES: COC1=CC=CC=C1C(=O)OC[C@H]1O[C@@H](O[C@H]2OC=C(C(=O)OC[C@@]3(O)CO[C@@H](OC[C@H]4O[C@@H](O[C@@H](C#N)C5=CC=CC=C5)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3O)[C@@H]3CC=C(CO)[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C43H51NO21/c1-56-25-10-6-5-9-23(25)37(53)57-16-27-30(46)33(49)35(51)41(64-27)65-39-29-21(14-45)11-12-22(29)24(15-58-39)38(54)60-18-43(55)19-61-42(36(43)52)59-17-28-31(47)32(48)34(50)40(63-28)62-26(13-44)20-7-3-2-4-8-20/h2-11,15,22,26-36,39-42,45-52,55H,12,14,16-19H2,1H3/t22-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36-,39+,40+,41-,42+,43+/m0/s1
InChIKey: RXDKUDGWPCFXLG-GMEIGNFQSA-N
Reference
A cyanogenic glycoside from Canthium schimperianum
PubChem CID: 162966566
LOTUS: LTS0229253
SuperNatural Ⅲ: SN0337634-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psydrax schimperiana | Psydrax | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 917.8670000000006
TPSA？: 332.3
MolLogP？: -2.431619999999993
Number of H-Donors: 9
Number of H-Acceptors: 22
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|