| Properties | Image |
|---|
| MNX_ID | MNXM1183304 |
 |
| reference | envipathM:...e323298d2fd4 |
| formula | C41H65O16 |
| global charge | -1 |
| mol weight | 813.955 |
| InChIKey | GVYSYYSZCJWMNN-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O16/c1-19-36(56-34-16-29(44)37(20(2)52-34)57-35-17-32(48)55-38(49)21(3)53-35)28(43)15-33(51-19)54-24-8-10-39(4)23(13-24)6-7-26-27(39)14-30(45)40(5)25(9-11-41(26,40)50)22(18-42)12-31(46)47/h19-30,33-38,42-45,49-50H,6-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(CO)CC(=O)[O-])CCC65O)C4)OC3C)OC2C)CC(=O)OC1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O16/c1-19-36(56-34-16-29(44)37(20(2)52-34)57-35-17-32(48)55-38(49)21(3)53-35)28(43)15-33(51-19)54-24-8-10-39(4)23(13-24)6-7-26-27(39)14-30(45)40(5)25(9-11-41(26,40)50)22(18-42)12-31(46)47/h19-30,33-38,42-45,49-50H,6-18H2,1-5H3,(H,46,47)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:56][CH:34]2[CH2:16][CH:29]([OH:44])[CH:37]([O:57][CH:35]3[CH2:17][C:32](=[O:48])[O:55][CH:38]([OH:49])[CH:21]([CH3:3])[O:53]3)[CH:20]([CH3:2])[O:52]2)[CH:28]([OH:43])[CH2:15][CH:33]([O:54][CH:24]2[CH2:8][CH2:10][C:39]3([CH3:4])[CH:23]([CH2:6][CH2:7][CH:26]4[CH:27]3[CH2:14][CH:30]([OH:45])[C:40]3([CH3:5])[CH:25]([CH:22]([CH2:12][C:31](=[O:46])[OH:47])[CH2:18][OH:42])[CH2:9][CH2:11][C:41]43[OH:50])[CH2:13]2)[O:51]1 |
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