| Properties | Image |
|---|
| MNX_ID | MNXM1173754 |
 |
| reference | envipathM:...34b8db4f404b |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | KFOORPPKIBTNLS-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-35(50)22(43)9-31(54-17)59-37-24(45)11-32(57-27(37)15-42)58-36-18(2)55-30(10-23(36)44)56-20-5-6-38(3)21-8-28(48)39(4)33(19-7-29(49)53-16-19)26(47)14-41(39,52)34(21)25(46)13-40(38,51)12-20/h7,17-18,20-22,24-28,30-37,42-43,45-48,50-52H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC5(O)C4C(O)CC3(O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-35(50)22(43)9-31(54-17)59-37-24(45)11-32(57-27(37)15-42)58-36-18(2)55-30(10-23(36)44)56-20-5-6-38(3)21-8-28(48)39(4)33(19-7-29(49)53-16-19)26(47)14-41(39,52)34(21)25(46)13-40(38,51)12-20/h7,17-18,20-22,24-28,30-37,42-43,45-48,50-52H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:50])[CH:22]([OH:43])[CH2:9][CH:31]([O:59][CH:37]2[CH:24]([OH:45])[CH2:11][CH:32]([O:58][CH:36]3[CH:18]([CH3:2])[O:55][CH:30]([O:56][CH:20]4[CH2:5][CH2:6][C:38]5([CH3:3])[CH:21]6[CH2:8][CH:28]([OH:48])[C:39]7([CH3:4])[CH:33]([C:19]8=[CH:7][C:29](=[O:49])[O:53][CH2:16]8)[CH:26]([OH:47])[CH2:14][C:41]7([OH:52])[CH:34]6[CH:25]([OH:46])[CH2:13][C:40]5([OH:51])[CH2:12]4)[CH2:10][C:23]3=[O:44])[O:57][CH:27]2[CH2:15][OH:42])[O:54]1 |
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