Chem
J-GLOBAL ID：200907028594794356   Nikkaji number：J2.152.265A

Bellisoside A

ベリソシドA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C63H100O29
Molecular formula furigana： C63-H100-O29
Molecular weight： 1321.464
InChI： InChI=1S/C63H100O29/c1-24-37(71)39(73)41(75)53(82-24)89-48-32(69)22-81-52(45(48)79)88-47-26(3)83-55(49(44(47)78)86-28(5)67)90-50-43(77)46(85-27(4)66)25(2)84-56(50)92-57(80)63-17-16-58(6,7)18-30(63)29-12-13-35-59(8)19-31(68)51(91-54-42(76)40(74)38(72)33(21-64)87-54)60(9,23-65)34(59)14-15-61(35,10)62(29,11)20-36(63)70/h12,24-26,30-56,64-65,68-79H,13-23H2,1-11H3/t24-,25+,26-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39+,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-,59-,60-,61+,62+,63+/m0/s1
InChI key： VAWPDFLVILGNKF-FGEWHGAISA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](OC(=O)C)[C@@H](C)O[C@H]4OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](OC(=O)C)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2β,16α,23-トリヒドロキシ-3β-(β-D-グルコピラノシルオキシ)オレアナ-12-エン-28-酸2-O-[2-O-アセチル-4-O-[3-O-(α-L-ラムノピラノシル)-β-D-キシロピラノシル]-α-L-ラムノピラノシル]-4-O-アセチル-β-D-フコピラノシル
  • (2S,3R,4S,5R,6R)-5-(アセチルオキシ)-3-{[(2S,3R,4R,5R,6S)-3-(アセチルオキシ)-5-{[(2S,3R,4S,5R)-3,5-ジヒドロキシ-4-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5R,6R)-5-(acetyloxy)-3-{[(2S,3R,4R,5R,6S)-3-(acetyloxy)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3)：
  • 2β,16α,23-Trihydroxy-3β-(β-D-glucopyranosyloxy)oleana-12-ene-28-oic acid 2-O-[2-O-acetyl-4-O-[3-O-(α-L-rhamnopyranosyl)-β-D-xylopyranosyl]-α-L-rhamnopyranosyl]-4-O-acetyl-β-D-fucopyranosyl ester
  • ベリソシドA
  • Bellisoside A
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