| Properties | Image |
|---|
| MNX_ID | MNXM1181084 |
 |
| reference | envipathM:...2916f7d09ef8 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | DHESJEDCOYEOMD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-33(48)23(43)12-31(53-17)58-35-19(3)55-32(14-25(35)45)59-34-18(2)54-30(13-24(34)44)56-20-6-8-37(4)21(10-20)22(42)11-27-40(51)9-7-26(39(50)16-29(47)57-36(39)49)38(40,5)28(46)15-41(27,37)52/h17-24,26-28,30-36,42-44,46,48-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4(O)CC(O)C4(C)C(C5(O)CC(=O)OC5O)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-33(48)23(43)12-31(53-17)58-35-19(3)55-32(14-25(35)45)59-34-18(2)54-30(13-24(34)44)56-20-6-8-37(4)21(10-20)22(42)11-27-40(51)9-7-26(39(50)16-29(47)57-36(39)49)38(40,5)28(46)15-41(27,37)52/h17-24,26-28,30-36,42-44,46,48-52H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,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:33]([OH:48])[CH:23]([OH:43])[CH2:12][CH:31]([O:58][CH:35]2[CH:19]([CH3:3])[O:55][CH:32]([O:59][CH:34]3[CH:18]([CH3:2])[O:54][CH:30]([O:56][CH:20]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:21]([CH2:10]4)[CH:22]([OH:42])[CH2:11][CH:27]4[C:40]6([OH:51])[CH2:9][CH2:7][CH:26]([C:39]7([OH:50])[CH2:16][C:29](=[O:47])[O:57][CH:36]7[OH:49])[C:38]6([CH3:5])[CH:28]([OH:46])[CH2:15][C:41]45[OH:52])[CH2:13][CH:24]3[OH:44])[CH2:14][C:25]2=[O:45])[O:53]1 |
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