| Properties | Image |
|---|
| MNX_ID | MNXM120415 |
 |
| reference | hmdb:HMDB0031372 |
| formula | C56H90O26 |
| global charge | 0 |
| mol weight | 1179.31 |
| InChIKey | ZMXQNYSKYBAHKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C56H90O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-52-47(35(61)29(60)20-71-52)80-49-44(70)41(67)45(23(3)73-49)78-53-48(81-51-43(69)40(66)37(63)32(17-58)76-51)46(38(64)33(18-59)77-53)79-50-42(68)39(65)36(62)31(16-57)75-50/h6,21-23,25-53,57-70H,7-20H2,1-5H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OCC(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C56H90O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-52-47(35(61)29(60)20-71-52)80-49-44(70)41(67)45(23(3)73-49)78-53-48(81-51-43(69)40(66)37(63)32(17-58)76-51)46(38(64)33(18-59)77-53)79-50-42(68)39(65)36(62)31(16-57)75-50/h6,21-23,25-53,57-70H,7-20H2,1-5H3/t21?,22?,23?,25?,26?,27?,28?,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? |
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| SMILES (mnx) | [CH3:1][CH:21]1[CH2:8][CH2:13][C:56]2([CH:22]([CH3:2])[CH:34]3[CH:30]([CH2:15][CH:28]4[CH:26]5[CH2:7][CH:6]=[C:24]6[CH2:14][CH:25]([O:74][CH:52]7[CH:47]([O:80][CH:49]8[CH:44]([OH:70])[CH:41]([OH:67])[CH:45]([O:78][CH:53]9[CH:48]([O:81][CH:51]%10[CH:43]([OH:69])[CH:40]([OH:66])[CH:37]([OH:63])[CH:32]([CH2:17][OH:58])[O:76]%10)[CH:46]([O:79][CH:50]%10[CH:42]([OH:68])[CH:39]([OH:65])[CH:36]([OH:62])[CH:31]([CH2:16][OH:57])[O:75]%10)[CH:38]([OH:64])[CH:33]([CH2:18][OH:59])[O:77]9)[CH:23]([CH3:3])[O:73]8)[CH:35]([OH:61])[CH:29]([OH:60])[CH2:20][O:71]7)[CH2:9][CH2:11][C:54]6([CH3:4])[CH:27]5[CH2:10][CH2:12][C:55]43[CH3:5])[O:82]2)[O:72][CH2:19]1 |
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