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name Structure Reference Source Properties Activities Metabolism

methyl (4S,5R,6S)-4-{[(2R,4aR,6R,7R,8R,8aS)-6-[(R)-cyano(3-hydroxy-4-methoxyphenyl)methoxy]-7,8-dihydroxy-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-2-yl]methyl}-5-ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyr

AlkaPlorer ID: AK146379

Synonym: None

IUPAC Name: methyl (2S,3R,4S)-4-[[(2R,4aR,6R,7R,8R,8aS)-6-[(R)-cyano-(3-hydroxy-4-methoxyphenyl)methoxy]-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1OC[C@H]2O[C@@H](O[C@@H](C#N)C3=CC=C(OC)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O1

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InChI: InChI=1S/C32H41NO17/c1-4-14-15(16(29(41)43-3)11-45-30(14)50-32-26(39)24(37)23(36)20(10-34)47-32)8-22-44-12-21-28(49-22)25(38)27(40)31(48-21)46-19(9-33)13-5-6-18(42-2)17(35)7-13/h4-7,11,14-15,19-28,30-32,34-40H,1,8,10,12H2,2-3H3/t14-,15+,19+,20-,21-,22-,23-,24+,25-,26-,27-,28-,30+,31-,32+/m1/s1

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InChIKey: QWMIJIWMXKYKPY-UHZDNECYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Hydrangea macrophylla Hydrangea Hydrangeaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 711.6700000000005

TPSA？: 265.54

MolLogP？: -1.791519999999995

Number of H-Donors: 7

Number of H-Acceptors: 18

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information