| Properties | Image |
|---|
| MNX_ID | MNXM1321849 |
 |
| reference | envipathM:...cc4ca396747b |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | AYVHGYKVXULEJM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-35(49)25(44)12-33(53-18)58-37-27(46)14-34(56-28(37)16-42)57-36-19(2)54-32(13-26(36)45)55-21-5-7-38(3)23(10-21)24(43)11-29-40(50)8-6-22(20-9-31(48)52-17-20)39(40,4)30(47)15-41(29,38)51/h9,18-19,21-25,27-29,32-37,42-44,46,49-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3(O)CC(=O)C3(C)C(C4=CC(=O)OC4)CCC23O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-35(49)25(44)12-33(53-18)58-37-27(46)14-34(56-28(37)16-42)57-36-19(2)54-32(13-26(36)45)55-21-5-7-38(3)23(10-21)24(43)11-29-40(50)8-6-22(20-9-31(48)52-17-20)39(40,4)30(47)15-41(29,38)51/h9,18-19,21-25,27-29,32-37,42-44,46,49-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,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:44])[CH2:12][CH:33]([O:58][CH:37]2[CH:27]([OH:46])[CH2:14][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:55][CH:21]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:23]([CH2:10]4)[CH:24]([OH:43])[CH2:11][CH:29]4[C:40]6([OH:50])[CH2:8][CH2:6][CH:22]([C:20]7=[CH:9][C:31](=[O:48])[O:52][CH2:17]7)[C:39]6([CH3:4])[C:30](=[O:47])[CH2:15][C:41]45[OH:51])[CH2:13][C:26]3=[O:45])[O:56][CH:28]2[CH2:16][OH:42])[O:53]1 |
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