| Properties | Image |
|---|
| MNX_ID | MNXM1188728 |
 |
| reference | envipathM:...efd378b77305 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | UTGOIGJMVPYIJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)24(43)12-32(54-17)58-36-19(3)56-33(14-26(36)45)59-35-18(2)55-31(13-25(35)44)57-21-9-22-23(42)11-27-40(51)7-6-39(50,20-8-30(48)53-16-20)38(40,5)29(47)15-41(27,52)37(22,4)28(46)10-21/h8,17-19,21-25,27-29,31-36,42-44,46-47,49-52H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(C3)C(O)CC3C4(O)CC(O)C4(C)C(O)(C5=CC(=O)OC5)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)24(43)12-32(54-17)58-36-19(3)56-33(14-26(36)45)59-35-18(2)55-31(13-25(35)44)57-21-9-22-23(42)11-27-40(51)7-6-39(50,20-8-30(48)53-16-20)38(40,5)29(47)15-41(27,52)37(22,4)28(46)10-21/h8,17-19,21-25,27-29,31-36,42-44,46-47,49-52H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:24]([OH:43])[CH2:12][CH:32]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:21]4[CH2:9][CH:22]5[CH:23]([OH:42])[CH2:11][CH:27]6[C:40]7([OH:51])[CH2:7][CH2:6][C:39]([C:20]8=[CH:8][C:30](=[O:48])[O:53][CH2:16]8)([OH:50])[C:38]7([CH3:5])[CH:29]([OH:47])[CH2:15][C:41]6([OH:52])[C:37]5([CH3:4])[CH:28]([OH:46])[CH2:10]4)[CH2:13][CH:25]3[OH:44])[CH2:14][C:26]2=[O:45])[O:54]1 |
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