| Properties | Image |
|---|
| MNX_ID | MNXM1194138 |
 |
| reference | envipathM:...9ae14ea6d011 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | YQLFLRQDRYDZON-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-16-36(50)24(43)11-32(53-16)57-38-18(3)55-33(13-26(38)45)58-37-17(2)54-31(12-25(37)44)56-21-7-20-8-23(42)35-22(39(20,4)28(47)9-21)10-29(48)40(5)34(19-6-30(49)52-15-19)27(46)14-41(35,40)51/h6,16-18,20-27,29,31-38,42-46,48,50-51H,7-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-16-36(50)24(43)11-32(53-16)57-38-18(3)55-33(13-26(38)45)58-37-17(2)54-31(12-25(37)44)56-21-7-20-8-23(42)35-22(39(20,4)28(47)9-21)10-29(48)40(5)34(19-6-30(49)52-15-19)27(46)14-41(35,40)51/h6,16-18,20-27,29,31-38,42-46,48,50-51H,7-15H2,1-5H3/t16?,17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:36]([OH:50])[CH:24]([OH:43])[CH2:11][CH:32]([O:57][CH:38]2[CH:18]([CH3:3])[O:55][CH:33]([O:58][CH:37]3[CH:17]([CH3:2])[O:54][CH:31]([O:56][CH:21]4[CH2:7][CH:20]5[CH2:8][CH:23]([OH:42])[CH:35]6[CH:22]([CH2:10][CH:29]([OH:48])[C:40]7([CH3:5])[CH:34]([C:19]8=[CH:6][C:30](=[O:49])[O:52][CH2:15]8)[CH:27]([OH:46])[CH2:14][C:41]67[OH:51])[C:39]5([CH3:4])[C:28](=[O:47])[CH2:9]4)[CH2:12][CH:25]3[OH:44])[CH2:13][CH:26]2[OH:45])[O:53]1 |
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