Chem
J-GLOBAL ID：200907048736031305   Nikkaji number：J946.245G

Hibarimicin G

ヒバリミシンG
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： C85H112O39
Molecular formula furigana： C85-H112-O39
Molecular weight： 1757.792
InChI： InChI=1S/C85H112O39/c1-14-20-80(104)78(122-45-18-16-41(28(3)112-45)118-49-26-43(90)82(105,32(7)86)34(9)116-49)68(100)71(120-47-24-39(88)60(92)30(5)114-47)38-23-36-22-37-52(62(94)51(36)76(102)84(38,80)107)63(95)56(74(111-13)70(37)109-11)55-64(96)53-54(67(99)73(55)110-12)65(97)57-58(66(53)98)77(103)85(108)59-72(57)124-81(85,21-15-2)79(69(101)75(59)121-48-25-40(89)61(93)31(6)115-48)123-46-19-17-42(29(4)113-46)119-50-27-44(91)83(106,33(8)87)35(10)117-50/h22,28-31,34-35,38-50,59-61,68-69,71-72,75,78-79,88-95,97-98,100-101,104-108H,14-21,23-27H2,1-13H3/t28-,29-,30+,31+,34+,35+,38?,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,59?,60+,61+,68?,69?,71?,72?,75?,78?,79?,80?,81?,82-,83-,84?,85?/m1/s1
InChI key： KDLAXKWCMPFSGH-FFPHRYDESA-N
SMILES： CCCC12OC3C(C(O[C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)C(O)C1O[C@H]1CC[C@H](O[C@H]4C[C@@H](O)[C@](O)([C@H](C)O4)C(=O)C)[C@@H](C)O1)C2(O)C(=O)c1c(O)c2C(=O)C(=C(OC)C(=O)c2c(O)c31)c1c(O)c2c(O)c3C(=O)C4(O)C(Cc3cc2c(OC)c1OC)C(O[C@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1)C(O)C(O[C@H]1CC[C@H](O[C@H]2C[C@@H](O)[C@](O)([C@H](C)O2)C(=O)C)[C@@H](C)O1)C4(O)CCC
Systematic name  (3)：
  • 6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-ドデカヒドロ-1′,5,8,8′,10′,10a,10a′,12,12′-ノナヒドロキシ-7,7′-ビス(2,6-ジデオキシ-α-L-ribo-ヘキソピラノシルオキシ)-9,9′-ビス[4-O-(4-C-アセチル-2,6-ジデオキシ-α-L-xylo-ヘキソピラノシル)-2,3,6-トリデオキシ-β-D-erythro-ヘキソピラノシルオキシ]-3,3′,4′-トリメトキシ-10,10′-ジプロピル-6,10-エポキシ-2,2′-ビナフタセン-1,4,11,11′(10aH,10a′H)-テトラオン
  • 5-{[(2S,5S,6R)-5-{[(2R,4R,5S,6S)-5-アセチル-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-15-(9-{[(2S,5S,6R)-5-{[(2R,4R,5S,6S)-5-アセチル-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-7-{[(2S,4R,5R,6S)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1,8,10,10a,12-ペンタヒドロキシ-3,4-ジメトキシ-11-オキソ-10-プロピル-6,6a,7,8,9,10,10a,11-オクタヒドロテトラセン-2-イル)-7-{[(2S,4R,5R,6S)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6,9,12,19-テトラヒドロキシ-16-メトキシ-4-プロピル-3-オキサペンタシクロ[9.8.0.02,8.04,9.013,18]ノナデカ-1(19),11,13(18),15-テトラエン-10,14,17-トリオン
  • 5-{[(2S,5S,6R)-5-{[(2R,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-15-(9-{[(2S,5S,6R)-5-{[(2R,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,10a,12-pentahydroxy-3,4-dimethoxy-11-oxo-10-propyl-6,6a,7,8,9,10,10a,11-octahydrotetracen-2-yl)-7-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6,9,12,19-tetrahydroxy-16-methoxy-4-propyl-3-oxapentacyclo[9.8.0.02,8.04,9.013,18]nonadeca-1(19),11,13(18),15-tetraene-10,14,17-trione
Other name (4)：
  • ヒバリミシンG
  • Hibarimicin G
  • 6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-Dodecahydro-1′,5,8,8′,10′,10a,10a′,12,12′-nonahydroxy-7,7′-bis(2,6-dideoxy-α-L-ribo-hexopyranosyloxy)-9,9′-bis[4-O-(4-C-acetyl-2,6-dideoxy-α-L-xylo-hexopyranosyl)-2,3,6-trideoxy-β-D-erythro-hexopyranosyloxy]-3,3′,4′-trimethoxy-10,10′-dipropyl-6,10-epoxy-2,2′-binaphthacene-1,4,11,11′(10aH,10a′H)-tetrone
  • 6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-Dodecahydro-1′,5,8,8′,10′,10a,10a′,12,12′-nonahydroxy-7,7′-bis(2,6-dideoxy-α-L-ribo-hexopyranosyloxy)-9,9′-bis[4-O-(4-C-acetyl-2,6-dideoxy-α-L-xylo-hexopyranosyl)-2,3,6-trideoxy-β-D-erythro-hexopyranosyloxy]-3,3′,4′-trimethoxy-10,10′-dipropyl-6,10-epoxy-2,2′-binaphthacene-1,4,11,11′(10aH,10a′H)-tetraone
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