| Properties | Image |
|---|
| MNX_ID | MNXM1182138 |
 |
| reference | envipathM:...7bd0b40351db |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | VYHKGRMRCNYWNC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-35(49)25(43)12-32(53-18)57-36-19(2)54-33(13-26(36)44)58-37-27(45)14-34(56-28(37)16-42)55-21-10-29(46)38(3)24-11-30(47)39(4)22(20-9-31(48)52-17-20)6-8-41(39,51)23(24)5-7-40(38,50)15-21/h9,18-19,21-25,27-30,32-37,42-43,45-47,49-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C5CC(O)C6(C)C(C7=CC(=O)OC7)CCC6(O)C5CCC4(O)C3)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(49)25(43)12-32(53-18)57-36-19(2)54-33(13-26(36)44)58-37-27(45)14-34(56-28(37)16-42)55-21-10-29(46)38(3)24-11-30(47)39(4)22(20-9-31(48)52-17-20)6-8-41(39,51)23(24)5-7-40(38,50)15-21/h9,18-19,21-25,27-30,32-37,42-43,45-47,49-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:33]([O:58][CH:37]3[CH:27]([OH:45])[CH2:14][CH:34]([O:55][CH:21]4[CH2:10][CH:29]([OH:46])[C:38]5([CH3:3])[CH:24]6[CH2:11][CH:30]([OH:47])[C:39]7([CH3:4])[CH:22]([C:20]8=[CH:9][C:31](=[O:48])[O:52][CH2:17]8)[CH2:6][CH2:8][C:41]7([OH:51])[CH:23]6[CH2:5][CH2:7][C:40]5([OH:50])[CH2:15]4)[O:56][CH:28]3[CH2:16][OH:42])[CH2:13][C:26]2=[O:44])[O:53]1 |
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