| Properties | Image |
|---|
| MNX_ID | MNXM1139109 |
 |
| reference | envipathM:...1eb2e21f3854 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | DWCDRPAJANMMMR-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-35(49)27(43)15-33(52-19)58-37-21(3)54-34(17-31(48)56-37)57-36-20(2)53-32(16-28(36)44)55-24-8-9-38(4)22(12-24)6-7-25-26(38)14-29(45)39(5)40(50,10-11-41(25,39)51)23(18-42)13-30(46)47/h13,19-22,24-27,29,32-37,42-43,45,49-51H,6-12,14-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(=O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(=O)OC1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-35(49)27(43)15-33(52-19)58-37-21(3)54-34(17-31(48)56-37)57-36-20(2)53-32(16-28(36)44)55-24-8-9-38(4)22(12-24)6-7-25-26(38)14-29(45)39(5)40(50,10-11-41(25,39)51)23(18-42)13-30(46)47/h13,19-22,24-27,29,32-37,42-43,45,49-51H,6-12,14-18H2,1-5H3,(H,46,47)/b23-13?/t19?,20?,21?,22?,24?,25?,26?,27?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:49])[CH:27]([OH:43])[CH2:15][CH:33]([O:58][CH:37]2[CH:21]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:55][CH:24]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:14][CH:29]([OH:45])[C:39]5([CH3:5])[C:40]([C:23](=[CH:13][C:30](=[O:46])[OH:47])[CH2:18][OH:42])([OH:50])[CH2:10][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:16][C:28]3=[O:44])[CH2:17][C:31](=[O:48])[O:56]2)[O:52]1 |
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