| Properties | Image |
|---|
| MNX_ID | MNXM1194621 |
 |
| reference | envipathM:...e0710c65071d |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | QHNDMYMEABMAGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-36(58-34-11-24(44)35(50)27(15-42)56-34)25(45)12-32(54-18)59-37-26(46)13-33(57-28(37)16-43)55-21-6-7-38(2)19(8-21)4-5-22-23(38)10-29(47)39(3)40(22,51)14-30(48)41(39,52)20-9-31(49)53-17-20/h9,15,18-19,21-30,32-37,43-48,50-52H,4-8,10-14,16-17H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C5(O)CC(O)C4(O)C4=CC(=O)OC4)C3)OC2CO)CC(O)C1OC1CC(O)C(O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-36(58-34-11-24(44)35(50)27(15-42)56-34)25(45)12-32(54-18)59-37-26(46)13-33(57-28(37)16-43)55-21-6-7-38(2)19(8-21)4-5-22-23(38)10-29(47)39(3)40(22,51)14-30(48)41(39,52)20-9-31(49)53-17-20/h9,15,18-19,21-30,32-37,43-48,50-52H,4-8,10-14,16-17H2,1-3H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:58][CH:34]2[CH2:11][CH:24]([OH:44])[CH:35]([OH:50])[CH:27]([CH:15]=[O:42])[O:56]2)[CH:25]([OH:45])[CH2:12][CH:32]([O:59][CH:37]2[CH:26]([OH:46])[CH2:13][CH:33]([O:55][CH:21]3[CH2:6][CH2:7][C:38]4([CH3:2])[CH:19]([CH2:4][CH2:5][CH:22]5[CH:23]4[CH2:10][CH:29]([OH:47])[C:39]4([CH3:3])[C:40]5([OH:51])[CH2:14][CH:30]([OH:48])[C:41]4([C:20]4=[CH:9][C:31](=[O:49])[O:53][CH2:17]4)[OH:52])[CH2:8]3)[O:57][CH:28]2[CH2:16][OH:43])[O:54]1 |
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