| Properties | Image |
|---|
| MNX_ID | MNXM1172050 |
 |
| reference | envipathM:...b49589d0ed95 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | JLNJNNAJXDRWDC-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-35(51)24(43)11-32(54-17)58-37-19(3)56-33(13-26(37)45)59-36-18(2)55-31(12-25(36)44)57-21-9-28(47)38(4)23-10-29(48)39(5)34(20(16-42)8-30(49)50)27(46)15-41(39,53)22(23)6-7-40(38,52)14-21/h8,17-19,21-26,28-29,31-37,42-45,47-48,51-53H,6-7,9-16H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C6CC(O)C7(C)C(C(=CC(=O)[O-])CO)C(=O)CC7(O)C6CCC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-35(51)24(43)11-32(54-17)58-37-19(3)56-33(13-26(37)45)59-36-18(2)55-31(12-25(36)44)57-21-9-28(47)38(4)23-10-29(48)39(5)34(20(16-42)8-30(49)50)27(46)15-41(39,53)22(23)6-7-40(38,52)14-21/h8,17-19,21-26,28-29,31-37,42-45,47-48,51-53H,6-7,9-16H2,1-5H3,(H,49,50)/b20-8?/t17?,18?,19?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:51])[CH:24]([OH:43])[CH2:11][CH:32]([O:58][CH:37]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:36]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:21]4[CH2:9][CH:28]([OH:47])[C:38]5([CH3:4])[CH:23]6[CH2:10][CH:29]([OH:48])[C:39]7([CH3:5])[CH:34]([C:20](=[CH:8][C:30](=[O:49])[OH:50])[CH2:16][OH:42])[C:27](=[O:46])[CH2:15][C:41]7([OH:53])[CH:22]6[CH2:6][CH2:7][C:40]5([OH:52])[CH2:14]4)[CH2:12][CH:25]3[OH:44])[CH2:13][CH:26]2[OH:45])[O:54]1 |
|