| Properties | Image |
|---|
| MNX_ID | MNXM1181839 |
 |
| reference | envipathM:...1467c5a2d3b6 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | XGTLFNYIPUNOEK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-34(58-31-14-25(45)35(19(2)55-31)59-32-12-23(43)33(49)27(16-42)57-32)24(44)13-30(54-18)56-22-5-6-37(3)20(9-22)10-26(46)36-40(51)8-7-39(50,21-11-29(48)53-17-21)38(40,4)28(47)15-41(36,37)52/h11,18-20,22-27,30-36,42-46,49-52H,5-10,12-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3(O)CC(=O)C3(C)C(O)(C4=CC(=O)OC4)CCC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-34(58-31-14-25(45)35(19(2)55-31)59-32-12-23(43)33(49)27(16-42)57-32)24(44)13-30(54-18)56-22-5-6-37(3)20(9-22)10-26(46)36-40(51)8-7-39(50,21-11-29(48)53-17-21)38(40,4)28(47)15-41(36,37)52/h11,18-20,22-27,30-36,42-46,49-52H,5-10,12-17H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([O:58][CH:31]2[CH2:14][CH:25]([OH:45])[CH:35]([O:59][CH:32]3[CH2:12][CH:23]([OH:43])[CH:33]([OH:49])[CH:27]([CH2:16][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:24]([OH:44])[CH2:13][CH:30]([O:56][CH:22]2[CH2:5][CH2:6][C:37]3([CH3:3])[CH:20]([CH2:9]2)[CH2:10][CH:26]([OH:46])[CH:36]2[C:40]4([OH:51])[CH2:8][CH2:7][C:39]([C:21]5=[CH:11][C:29](=[O:48])[O:53][CH2:17]5)([OH:50])[C:38]4([CH3:4])[C:28](=[O:47])[CH2:15][C:41]23[OH:52])[O:54]1 |
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