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name Structure Reference Source Properties Activities Metabolism

(4aS,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}-2,2,6a,6b,9,

AlkaPlorer ID: AK226835

Synonym: None

IUPAC Name: (4aS,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-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Structure

SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C50H81NO18/c1-23(55)51-32-40(69-43-38(61)36(59)34(57)27(21-53)65-43)39(68-42-37(60)35(58)33(56)26(20-52)64-42)28(22-54)66-41(32)67-31-12-13-47(6)29(46(31,4)5)11-14-49(8)30(47)10-9-24-25-19-45(2,3)15-17-50(25,44(62)63)18-16-48(24,49)7/h9,25-43,52-54,56-61H,10-22H2,1-8H3,(H,51,55)(H,62,63)/t25-,26+,27+,28+,29-,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,47-,48+,49+,50-/m0/s1

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InChIKey: NHYOHVGVTJIEPF-XBDWLPNUSA-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: 984.1870000000008

TPSA？: 307.34

MolLogP？: 1.6903000000000057

Number of H-Donors: 11

Number of H-Acceptors: 17

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information