| Properties | Image |
|---|
| MNX_ID | MNXM1183726 |
 |
| reference | envipathM:...0a70b7820a93 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | JSRGXFXOVJJTGN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)25(43)13-32(52-17)57-36-18(2)53-33(14-26(36)44)58-37-27(45)15-34(55-28(37)16-42)54-20-9-19-5-6-23-24(39(19,3)29(46)10-20)12-30(47)40(4)22(7-8-41(23,40)51)21-11-31(48)56-38(21)50/h11,16-20,22-25,27-30,32-38,43,45-47,49-51H,5-10,12-15H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C(C6=CC(=O)OC6O)CCC54O)C3)OC2C=O)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)25(43)13-32(52-17)57-36-18(2)53-33(14-26(36)44)58-37-27(45)15-34(55-28(37)16-42)54-20-9-19-5-6-23-24(39(19,3)29(46)10-20)12-30(47)40(4)22(7-8-41(23,40)51)21-11-31(48)56-38(21)50/h11,16-20,22-25,27-30,32-38,43,45-47,49-51H,5-10,12-15H2,1-4H3/t17?,18?,19?,20?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:25]([OH:43])[CH2:13][CH:32]([O:57][CH:36]2[CH:18]([CH3:2])[O:53][CH:33]([O:58][CH:37]3[CH:27]([OH:45])[CH2:15][CH:34]([O:54][CH:20]4[CH2:9][CH:19]5[CH2:5][CH2:6][CH:23]6[CH:24]([CH2:12][CH:30]([OH:47])[C:40]7([CH3:4])[CH:22]([C:21]8=[CH:11][C:31](=[O:48])[O:56][CH:38]8[OH:50])[CH2:7][CH2:8][C:41]67[OH:51])[C:39]5([CH3:3])[CH:29]([OH:46])[CH2:10]4)[O:55][CH:28]3[CH:16]=[O:42])[CH2:14][C:26]2=[O:44])[O:52]1 |
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