Zanhasaponin A

ザンハサポニンA

Decided structure
Molecular formula： C₄₈H₇₄O₂₁
Molecular formula furigana： C48-H74-O21
Molecular weight： 987.099

InChI： InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19-,21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38-,39-,40-,44+,45+,46+,47-,48+/m0/s1

InChI key： FOVJATQXFPGIBQ-MERMWVLUSA-N

SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O

Systematic name (3)：

3β-(β-D-グルコピラヌロノシルオキシ)-2β,16α-ジヒドロキシオレアナ-12-エン-23,28-二酸28-(2-O-α-L-ラムノピラノシル-α-L-ラムノピラノシル)
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-4-カルボキシ-8a-({[(2S,3R,4R,5R,6S)-4,5-ジヒドロキシ-6-メチル-3-{[(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}カルボニル)-2,8-ジヒドロキシ-4,6a,6b,11,11,14b-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-4-carboxy-8a-({[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Other name (3)：

ザンハサポニンA
Zanhasaponin A
3β-(β-D-Glucopyranuronosyloxy)-2β,16α-dihydroxyolean-12-ene-23,28-dioic acid 28-(2-O-α-L-rhamnopyranosyl-α-L-rhamnopyranosyl) ester

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