| Properties | Image |
|---|
| MNX_ID | MNXM130039 |
 |
| reference | hmdb:HMDB0029785 |
| formula | C57H96O30 |
| global charge | 0 |
| mol weight | 1261.365 |
| InChIKey | WYWLHHWQKOHXHW-UHFFFAOYSA-N |
| InChI | InChI=1S/C57H96O30/c1-20(19-77-50-43(72)39(68)35(64)29(14-58)79-50)5-10-57(76)21(2)34-28(87-57)13-25-23-12-27(63)26-11-22(6-8-55(26,3)24(23)7-9-56(25,34)4)78-51-46(75)42(71)47(33(18-62)83-51)84-54-49(86-53-45(74)41(70)37(66)31(16-60)81-53)48(38(67)32(17-61)82-54)85-52-44(73)40(69)36(65)30(15-59)80-52/h20-54,58-76H,5-19H2,1-4H3 |
| SMILES | CC(CCC1(O)OC2CC3C4CC(O)C5CC(OC6OC(CO)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)C2C1C)COC1OC(CO)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C57H96O30/c1-20(19-77-50-43(72)39(68)35(64)29(14-58)79-50)5-10-57(76)21(2)34-28(87-57)13-25-23-12-27(63)26-11-22(6-8-55(26,3)24(23)7-9-56(25,34)4)78-51-46(75)42(71)47(33(18-62)83-51)84-54-49(86-53-45(74)41(70)37(66)31(16-60)81-53)48(38(67)32(17-61)82-54)85-52-44(73)40(69)36(65)30(15-59)80-52/h20-54,58-76H,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?,57? |
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| SMILES (mnx) | [CH3:1][CH:20]([CH2:5][CH2:10][C:57]1([OH:76])[CH:21]([CH3:2])[CH:34]2[CH:28]([CH2:13][CH:25]3[CH:23]4[CH2:12][CH:27]([OH:63])[CH:26]5[CH2:11][CH:22]([O:78][CH:51]6[CH:46]([OH:75])[CH:42]([OH:71])[CH:47]([O:84][CH:54]7[CH:49]([O:86][CH:53]8[CH:45]([OH:74])[CH:41]([OH:70])[CH:37]([OH:66])[CH:31]([CH2:16][OH:60])[O:81]8)[CH:48]([O:85][CH:52]8[CH:44]([OH:73])[CH:40]([OH:69])[CH:36]([OH:65])[CH:30]([CH2:15][OH:59])[O:80]8)[CH:38]([OH:67])[CH:32]([CH2:17][OH:61])[O:82]7)[CH:33]([CH2:18][OH:62])[O:83]6)[CH2:6][CH2:8][C:55]5([CH3:3])[CH:24]4[CH2:7][CH2:9][C:56]32[CH3:4])[O:87]1)[CH2:19][O:77][CH:50]1[CH:43]([OH:72])[CH:39]([OH:68])[CH:35]([OH:64])[CH:29]([CH2:14][OH:58])[O:79]1 |
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