| Properties | Image |
|---|
| MNX_ID | MNXM47205 |
 |
| reference | keggC:C17805 |
| formula | C70H114O35 |
| global charge | 0 |
| mol weight | 1515.647 |
| InChIKey | BCFDXLPPHIQFBU-XJPDAGPNSA-N |
| InChI | InChI=1S/C70H114O35/c1-26-38(76)43(81)48(86)58(94-26)101-53-32(21-72)97-60(50(88)45(53)83)102-54-33(22-73)98-61(51(89)46(54)84)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-74)35(66)11-14-69(36,8)68(28,7)16-18-70)100-63-56(40(78)30(75)23-92-63)104-62-52(90)55(39(77)27(2)95-62)103-57-47(85)42(80)34(24-93-57)99-59-49(87)44(82)41(79)31(20-71)96-59/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,29-,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+,57-,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@@H]9OC[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H]9O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C70H114O35/c1-26-38(76)43(81)48(86)58(94-26)101-53-32(21-72)97-60(50(88)45(53)83)102-54-33(22-73)98-61(51(89)46(54)84)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-74)35(66)11-14-69(36,8)68(28,7)16-18-70)100-63-56(40(78)30(75)23-92-63)104-62-52(90)55(39(77)27(2)95-62)103-57-47(85)42(80)34(24-93-57)99-59-49(87)44(82)41(79)31(20-71)96-59/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,29-,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+,57-,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:26]1[C@H:38]([OH:76])[C@@H:43]([OH:81])[C@@H:48]([OH:86])[C@H:58]([O:101][C@@H:53]2[C@@H:32]([CH2:21][OH:72])[O:97][C@@H:60]([O:102][C@@H:54]3[C@@H:33]([CH2:22][OH:73])[O:98][C@@H:61]([O:105][C:64]([C@:70]45[CH2:17][CH2:15][C:65]([CH3:3])([CH3:4])[CH2:19][C@H:29]4[C:28]4=[CH:9][CH2:10][C@@H:36]6[C@@:66]7([CH3:5])[CH2:13][CH2:12][C@H:37]([O:100][C@H:63]8[C@H:56]([O:104][C@H:62]9[C@H:52]([OH:90])[C@H:55]([O:103][C@H:57]%10[C@H:47]([OH:85])[C@H:42]([OH:80])[C@H:34]([O:99][C@H:59]%11[C@H:49]([OH:87])[C@@H:44]([OH:82])[C@H:41]([OH:79])[C@@H:31]([CH2:20][OH:71])[O:96]%11)[CH2:24][O:93]%10)[C@@H:39]([OH:77])[C@H:27]([CH3:2])[O:95]9)[C@@H:40]([OH:78])[C@@H:30]([OH:75])[CH2:23][O:92]8)[C@@:67]([CH3:6])([CH2:25][OH:74])[C@@H:35]7[CH2:11][CH2:14][C@@:69]6([CH3:8])[C@:68]4([CH3:7])[CH2:16][CH2:18]5)=[O:91])[C@H:51]([OH:89])[C@H:46]3[OH:84])[C@H:50]([OH:88])[C@H:45]2[OH:83])[O:94]1 |
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