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name Structure Reference Source Properties Activities Metabolism

(2S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(methox

AlkaPlorer ID: AK226387

Synonym: None

IUPAC Name: (2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-methoxycarbonyl-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Structure

SMILES: COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6N=C(C)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

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InChI: InChI=1S/C51H81NO20/c1-23(56)52-32-40(72-43-38(62)36(60)34(58)27(21-54)68-43)39(71-42-37(61)35(59)33(57)26(20-53)67-42)28(22-55)69-41(32)70-31-12-13-48(5)29(46(31,2)3)11-14-50(7)30(48)10-9-24-25-19-47(4,45(65)66-8)15-17-51(25,44(63)64)18-16-49(24,50)6/h9,25-43,53-55,57-62H,10-22H2,1-8H3,(H,52,56)(H,63,64)/t25-,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,47-,48-,49+,50+,51-/m0/s1

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InChIKey: PFZOLJHOXSOCLF-CYGBVSNVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Glinus lotoides Glinus Molluginaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1028.1960000000006

TPSA？: 333.64000000000004

MolLogP？: 0.8434000000000081

Number of H-Donors: 11

Number of H-Acceptors: 19

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information