| Properties | Image |
|---|
| MNX_ID | MNXM1186947 |
 |
| reference | envipathM:...12753e1340c6 |
| formula | C41H63O16 |
| global charge | -1 |
| mol weight | 811.939 |
| InChIKey | KXHCVJMPTOLDBU-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O16/c1-19-35(49)26(43)14-33(52-19)56-37-21(3)54-34(16-28(37)45)57-36-20(2)53-32(15-27(36)44)55-23-8-10-38(4)22(12-23)6-7-24-25(38)13-30(46)39(5)29(9-11-41(24,39)51)40(50,18-42)17-31(47)48/h19-26,29-30,32-37,42-43,46,49-51H,6-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])CCC43O)C2)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-19-35(49)26(43)14-33(52-19)56-37-21(3)54-34(16-28(37)45)57-36-20(2)53-32(15-27(36)44)55-23-8-10-38(4)22(12-23)6-7-24-25(38)13-30(46)39(5)29(9-11-41(24,39)51)40(50,18-42)17-31(47)48/h19-26,29-30,32-37,42-43,46,49-51H,6-18H2,1-5H3,(H,47,48)/t19?,20?,21?,22?,23?,24?,25?,26?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:49])[CH:26]([OH:43])[CH2:14][CH:33]([O:56][CH:37]2[CH:21]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:55][CH:23]4[CH2:8][CH2:10][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:24]6[CH:25]5[CH2:13][CH:30]([OH:46])[C:39]5([CH3:5])[CH:29]([C:40]([CH2:17][C:31](=[O:47])[OH:48])([CH2:18][OH:42])[OH:50])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:15][C:27]3=[O:44])[CH2:16][C:28]2=[O:45])[O:52]1 |
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