| Properties | Image |
|---|
| MNX_ID | MNXM1182733 |
 |
| reference | envipathM:...9948de466c3c |
| formula | C41H59O16 |
| global charge | -1 |
| mol weight | 807.907 |
| InChIKey | NZDVQYORXPSUFU-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H60O16/c1-18-36(50)26(43)13-33(52-18)56-38-20(3)54-34(15-28(38)45)57-37-19(2)53-32(14-27(37)44)55-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(47)40(5)35(21(17-42)10-31(48)49)29(46)16-41(24,40)51/h10,18-20,22-25,27-28,32-38,42,44-45,50-51H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C(C(=CC(=O)[O-])CO)C(=O)CC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-36(50)26(43)13-33(52-18)56-38-20(3)54-34(15-28(38)45)57-37-19(2)53-32(14-27(37)44)55-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(47)40(5)35(21(17-42)10-31(48)49)29(46)16-41(24,40)51/h10,18-20,22-25,27-28,32-38,42,44-45,50-51H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,27?,28?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:50])[C:26](=[O:43])[CH2:13][CH:33]([O:56][CH:38]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:37]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:23]4[CH2:8][CH2:9][C:39]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:24]6[CH:25]5[CH2:12][C:30](=[O:47])[C:40]5([CH3:5])[CH:35]([C:21](=[CH:10][C:31](=[O:48])[OH:49])[CH2:17][OH:42])[C:29](=[O:46])[CH2:16][C:41]65[OH:51])[CH2:11]4)[CH2:14][CH:27]3[OH:44])[CH2:15][CH:28]2[OH:45])[O:52]1 |
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