| Properties | Image |
|---|
| MNX_ID | MNXM1175579 |
 |
| reference | envipathM:...0420d6ff17ca |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | NXBSOJJRNGDRNK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-23(25(40(51)52)12-33(48)49)7-8-27(43)24-6-5-21-11-22(9-10-41(21,4)26(24)13-28(18)44)55-34-15-30(46)38(20(3)54-34)57-36-16-31(47)39(32(17-42)56-36)58-35-14-29(45)37(50)19(2)53-35/h12,18-24,26,29-32,34-40,42,45-47,50-52H,5-11,13-17H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C(=O)CCC(C(=CC(=O)[O-])C(O)O)C(C)C(=O)CC65)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-23(25(40(51)52)12-33(48)49)7-8-27(43)24-6-5-21-11-22(9-10-41(21,4)26(24)13-28(18)44)55-34-15-30(46)38(20(3)54-34)57-36-16-31(47)39(32(17-42)56-36)58-35-14-29(45)37(50)19(2)53-35/h12,18-24,26,29-32,34-40,42,45-47,50-52H,5-11,13-17H2,1-4H3,(H,48,49)/b25-12?/t18?,19?,20?,21?,22?,23?,24?,26?,29?,30?,31?,32?,34?,35?,36?,37?,38?,39?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:23]([C:25](=[CH:12][C:33](=[O:48])[OH:49])[CH:40]([OH:51])[OH:52])[CH2:7][CH2:8][C:27](=[O:43])[CH:24]2[CH2:6][CH2:5][CH:21]3[CH2:11][CH:22]([O:55][CH:34]4[CH2:15][CH:30]([OH:46])[CH:38]([O:57][CH:36]5[CH2:16][CH:31]([OH:47])[CH:39]([O:58][CH:35]6[CH2:14][CH:29]([OH:45])[CH:37]([OH:50])[CH:19]([CH3:2])[O:53]6)[CH:32]([CH2:17][OH:42])[O:56]5)[CH:20]([CH3:3])[O:54]4)[CH2:9][CH2:10][C:41]3([CH3:4])[CH:26]2[CH2:13][C:28]1=[O:44] |
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