| Properties | Image |
|---|
| MNX_ID | MNXM1187886 |
 |
| reference | envipathM:...d0a2f8a0efbb |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | XKBGLOLALRDOQD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-35(58-32-13-26(45)36(19(2)55-32)59-33-11-24(43)34(49)27(16-42)57-33)25(44)12-31(54-18)56-21-5-7-37(3)23-10-28(46)38(4)40(51,22(23)6-8-39(37,50)14-21)15-29(47)41(38,52)20-9-30(48)53-17-20/h9,18-19,21-23,25-29,31-36,42,44-47,49-52H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(O)(CC(O)C5(O)C5=CC(=O)OC5)C4CCC3(O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-35(58-32-13-26(45)36(19(2)55-32)59-33-11-24(43)34(49)27(16-42)57-33)25(44)12-31(54-18)56-21-5-7-37(3)23-10-28(46)38(4)40(51,22(23)6-8-39(37,50)14-21)15-29(47)41(38,52)20-9-30(48)53-17-20/h9,18-19,21-23,25-29,31-36,42,44-47,49-52H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:13][CH:26]([OH:45])[CH:36]([O:59][CH:33]3[CH2:11][C:24](=[O:43])[CH:34]([OH:49])[CH:27]([CH2:16][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:25]([OH:44])[CH2:12][CH:31]([O:56][CH:21]2[CH2:5][CH2:7][C:37]3([CH3:3])[CH:23]4[CH2:10][CH:28]([OH:46])[C:38]5([CH3:4])[C:40]([OH:51])([CH2:15][CH:29]([OH:47])[C:41]5([C:20]5=[CH:9][C:30](=[O:48])[O:53][CH2:17]5)[OH:52])[CH:22]4[CH2:6][CH2:8][C:39]3([OH:50])[CH2:14]2)[O:54]1 |
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