[(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: AK517752
Synonym: None
IUPAC Name: [5-[[6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 7-(hydroxymethyl)-1-[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)OCC1OC(OC2OC=C(C(=O)OCC3(O)COC(OCC4OC(OC(C#N)C5=CC=CC=C5)C(O)C(O)C4O)C3O)C3CC=C(CO)C23)C(O)C(O)C1O
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
InChIKey: RXDKUDGWPCFXLG-UHFFFAOYSA-N
Reference
A cyanogenic glycoside from Canthium schimperianum
PubChem CID: 85221117
LOTUS: LTS0055553
COCONUT: CNP0237912.1
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 |
|---|