| Properties | Image |
|---|
| MNX_ID | MNXM1179092 |
 |
| reference | envipathM:...42963d5fdf59 |
| formula | C41H65O19 |
| global charge | -1 |
| mol weight | 861.952 |
| InChIKey | SRSJEJPRXMRSFF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O19/c1-18-33(50)24(43)13-31(55-18)59-35-20(3)57-32(15-26(35)45)60-34-19(2)56-30(14-25(34)44)58-23-6-7-36(4)21(10-23)11-27(46)41(54)39(52)9-8-38(51,22(17-42)12-29(48)49)37(39,5)28(47)16-40(36,41)53/h12,18-21,23-28,30-35,42-47,50-54H,6-11,13-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4(O)C5(O)CC(O)C5(C)C(O)(C(=CC(=O)[O-])CO)CCC54O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-18-33(50)24(43)13-31(55-18)59-35-20(3)57-32(15-26(35)45)60-34-19(2)56-30(14-25(34)44)58-23-6-7-36(4)21(10-23)11-27(46)41(54)39(52)9-8-38(51,22(17-42)12-29(48)49)37(39,5)28(47)16-40(36,41)53/h12,18-21,23-28,30-35,42-47,50-54H,6-11,13-17H2,1-5H3,(H,48,49)/b22-12?/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:50])[CH:24]([OH:43])[CH2:13][CH:31]([O:59][CH:35]2[CH:20]([CH3:3])[O:57][CH:32]([O:60][CH:34]3[CH:19]([CH3:2])[O:56][CH:30]([O:58][CH:23]4[CH2:6][CH2:7][C:36]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][CH:27]([OH:46])[C:41]4([OH:54])[C:39]6([OH:52])[CH2:9][CH2:8][C:38]([C:22](=[CH:12][C:29](=[O:48])[OH:49])[CH2:17][OH:42])([OH:51])[C:37]6([CH3:5])[CH:28]([OH:47])[CH2:16][C:40]54[OH:53])[CH2:14][CH:25]3[OH:44])[CH2:15][CH:26]2[OH:45])[O:55]1 |
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