| Properties | Image |
|---|
| MNX_ID | MNXM120176 |
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| reference | hmdb:HMDB0040958 |
| formula | C56H92O28 |
| global charge | 0 |
| mol weight | 1213.324 |
| InChIKey | RZEWAXXMZGDUBB-UHFFFAOYSA-N |
| InChI | InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(47(37(65)31(15-58)77-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)40(68)45(32(16-59)79-52)80-51-42(70)38(66)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(47(37(65)31(15-58)77-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)40(68)45(32(16-59)79-52)80-51-42(70)38(66)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3/t20?,21?,22?,23?,24?,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:20]1[CH2:7][CH2:10][C:56]2([CH:21]([CH3:2])[CH:34]3[CH:29]([CH2:12][CH:25]4[CH:23]5[CH2:6][CH2:5][CH:22]6[CH2:11][CH:28]([O:75][CH:50]7[CH:43]([OH:71])[CH:39]([OH:67])[CH:46]([O:81][CH:53]8[CH:48]([O:83][CH:52]9[CH:44]([OH:72])[CH:40]([OH:68])[CH:45]([O:80][CH:51]%10[CH:42]([OH:70])[CH:38]([OH:66])[CH:36]([OH:64])[CH:30]([CH2:14][OH:57])[O:76]%10)[CH:32]([CH2:16][OH:59])[O:79]9)[CH:47]([O:82][CH:49]9[CH:41]([OH:69])[CH:35]([OH:63])[CH:27]([OH:62])[CH2:19][O:73]9)[CH:37]([OH:65])[CH:31]([CH2:15][OH:58])[O:77]8)[CH:33]([CH2:17][OH:60])[O:78]7)[CH:26]([OH:61])[CH2:13][C:55]6([CH3:4])[CH:24]5[CH2:8][CH2:9][C:54]43[CH3:3])[O:84]2)[O:74][CH2:18]1 |
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