| Properties | Image |
|---|
| MNX_ID | MNXM120621 |
 |
| reference | hmdb:HMDB0038992 |
| formula | C51H84O24 |
| global charge | 0 |
| mol weight | 1081.209 |
| InChIKey | OJXYLGQQFXELNY-UHFFFAOYSA-N |
| InChI | InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CCC5CC(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)C(O)CC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3/t19?,20?,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? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH2:7][CH2:10][C:51]2([CH:20]([CH3:2])[CH:32]3[CH:27]([CH2:12][CH:24]4[CH:22]5[CH2:6][CH2:5][CH:21]6[CH2:11][CH:26]([O:67][CH:45]7[CH:41]([OH:65])[CH:38]([OH:62])[CH:42]([O:72][CH:48]8[CH:44]([O:74][CH:47]9[CH:40]([OH:64])[CH:37]([OH:61])[CH:34]([OH:58])[CH:29]([CH2:15][OH:53])[O:69]9)[CH:43]([O:73][CH:46]9[CH:39]([OH:63])[CH:36]([OH:60])[CH:33]([OH:57])[CH:28]([CH2:14][OH:52])[O:68]9)[CH:35]([OH:59])[CH:30]([CH2:16][OH:54])[O:70]8)[CH:31]([CH2:17][OH:55])[O:71]7)[CH:25]([OH:56])[CH2:13][C:50]6([CH3:4])[CH:23]5[CH2:8][CH2:9][C:49]43[CH3:3])[O:75]2)[O:66][CH2:18]1 |
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