| Properties | Image |
|---|
| MNX_ID | MNXM1180634 |
 |
| reference | envipathM:...bc4085fafc30 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | BSUGRBIWFWVVGR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-37(58-34-10-23(44)36(51)27(14-42)56-34)24(45)11-32(54-17)59-38-25(46)12-33(57-28(38)15-43)55-20-7-19-4-5-21-22(39(19,2)29(48)8-20)9-30(49)40(3)35(18-6-31(50)53-16-18)26(47)13-41(21,40)52/h6,15,17,19-30,32-38,42,44-49,51-52H,4-5,7-14,16H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C(C6=CC(=O)OC6)C(O)CC54O)C3)OC2C=O)CC(O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-37(58-34-10-23(44)36(51)27(14-42)56-34)24(45)11-32(54-17)59-38-25(46)12-33(57-28(38)15-43)55-20-7-19-4-5-21-22(39(19,2)29(48)8-20)9-30(49)40(3)35(18-6-31(50)53-16-18)26(47)13-41(21,40)52/h6,15,17,19-30,32-38,42,44-49,51-52H,4-5,7-14,16H2,1-3H3/t17?,19?,20?,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:17]1[CH:37]([O:58][CH:34]2[CH2:10][CH:23]([OH:44])[CH:36]([OH:51])[CH:27]([CH2:14][OH:42])[O:56]2)[CH:24]([OH:45])[CH2:11][CH:32]([O:59][CH:38]2[CH:25]([OH:46])[CH2:12][CH:33]([O:55][CH:20]3[CH2:7][CH:19]4[CH2:4][CH2:5][CH:21]5[CH:22]([CH2:9][CH:30]([OH:49])[C:40]6([CH3:3])[CH:35]([C:18]7=[CH:6][C:31](=[O:50])[O:53][CH2:16]7)[CH:26]([OH:47])[CH2:13][C:41]56[OH:52])[C:39]4([CH3:2])[CH:29]([OH:48])[CH2:8]3)[O:57][CH:28]2[CH:15]=[O:43])[O:54]1 |
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