| Properties | Image |
|---|
| MNX_ID | MNXM1175750 |
 |
| reference | envipathM:...7699eda2161b |
| formula | C41H61O16 |
| global charge | -1 |
| mol weight | 809.923 |
| InChIKey | VWAUSPRATUFHJD-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O16/c1-18-35(48)27(42)15-33(52-18)56-37-20(3)54-34(17-29(37)44)57-36-19(2)53-32(16-28(36)43)55-22-8-10-39(4)21(12-22)6-7-25-26(39)14-30(45)40(5)24(9-11-41(25,40)51)23(38(49)50)13-31(46)47/h13,18-22,24-26,29-30,32-38,44-45,48-51H,6-12,14-17H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])C(O)O)CCC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-35(48)27(42)15-33(52-18)56-37-20(3)54-34(17-29(37)44)57-36-19(2)53-32(16-28(36)43)55-22-8-10-39(4)21(12-22)6-7-25-26(39)14-30(45)40(5)24(9-11-41(25,40)51)23(38(49)50)13-31(46)47/h13,18-22,24-26,29-30,32-38,44-45,48-51H,6-12,14-17H2,1-5H3,(H,46,47)/b23-13?/t18?,19?,20?,21?,22?,24?,25?,26?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:48])[C:27](=[O:42])[CH2:15][CH:33]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:14][CH:30]([OH:45])[C:40]5([CH3:5])[CH:24]([C:23](=[CH:13][C:31](=[O:46])[OH:47])[CH:38]([OH:49])[OH:50])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:16][C:28]3=[O:43])[CH2:17][CH:29]2[OH:44])[O:52]1 |
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