| Properties | Image |
|---|
| MNX_ID | MNXM1194092 |
 |
| reference | envipathM:...112510a508d1 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | VPQJLDANLQOYQF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-17-36(49)26(43)12-33(52-17)56-38-19(3)54-34(14-28(38)45)57-37-18(2)53-32(13-27(37)44)55-21-6-7-39(4)22-11-30(47)40(5)35(20-8-31(48)51-16-20)29(46)15-41(40,50)23(22)10-25(42)24(39)9-21/h8,17-19,21-25,27-28,32-38,42,44-45,49-50H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(=O)C5(C)C(C6=CC(=O)OC6)C(=O)CC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-17-36(49)26(43)12-33(52-17)56-38-19(3)54-34(14-28(38)45)57-37-18(2)53-32(13-27(37)44)55-21-6-7-39(4)22-11-30(47)40(5)35(20-8-31(48)51-16-20)29(46)15-41(40,50)23(22)10-25(42)24(39)9-21/h8,17-19,21-25,27-28,32-38,42,44-45,49-50H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,27?,28?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:49])[C:26](=[O:43])[CH2:12][CH:33]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:34]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:32]([O:55][CH:21]4[CH2:6][CH2:7][C:39]5([CH3:4])[CH:22]6[CH2:11][C:30](=[O:47])[C:40]7([CH3:5])[CH:35]([C:20]8=[CH:8][C:31](=[O:48])[O:51][CH2:16]8)[C:29](=[O:46])[CH2:15][C:41]7([OH:50])[CH:23]6[CH2:10][CH:25]([OH:42])[CH:24]5[CH2:9]4)[CH2:13][CH:27]3[OH:44])[CH2:14][CH:28]2[OH:45])[O:52]1 |
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