| Properties | Image |
|---|
| MNX_ID | MNXM1191092 |
 |
| reference | envipathM:...021c3a859ffd |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | LGPYSUBWLAOBHN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-35(58-32-12-24(45)36(19(2)55-32)59-33-10-22(43)34(49)26(16-42)57-33)23(44)11-31(54-18)56-20-5-7-37(3)21(9-20)25(46)14-40(51)28(37)13-29(47)38(4)27(6-8-41(38,40)52)39(50)15-30(48)53-17-39/h18-23,25-29,31-36,42-44,46-47,49-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3(O)C4CC(O)C4(C)C(C5(O)COC(=O)C5)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(58-32-12-24(45)36(19(2)55-32)59-33-10-22(43)34(49)26(16-42)57-33)23(44)11-31(54-18)56-20-5-7-37(3)21(9-20)25(46)14-40(51)28(37)13-29(47)38(4)27(6-8-41(38,40)52)39(50)15-30(48)53-17-39/h18-23,25-29,31-36,42-44,46-47,49-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:12][C:24](=[O:45])[CH:36]([O:59][CH:33]3[CH2:10][CH:22]([OH:43])[CH:34]([OH:49])[CH:26]([CH2:16][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:23]([OH:44])[CH2:11][CH:31]([O:56][CH:20]2[CH2:5][CH2:7][C:37]3([CH3:3])[CH:21]([CH2:9]2)[CH:25]([OH:46])[CH2:14][C:40]2([OH:51])[CH:28]3[CH2:13][CH:29]([OH:47])[C:38]3([CH3:4])[CH:27]([C:39]4([OH:50])[CH2:15][C:30](=[O:48])[O:53][CH2:17]4)[CH2:6][CH2:8][C:41]32[OH:52])[O:54]1 |
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