| Properties | Image |
|---|
| MNX_ID | MNXM1176922 |
 |
| reference | envipathM:...eff225d52bae |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | HRBWROZDYLCOMT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-34(48)23(43)12-31(53-19)57-35-20(2)54-32(13-24(35)44)58-36-25(45)14-33(56-26(36)17-42)55-22-6-8-37(3)21(11-22)5-9-40(50)28(37)15-29(46)38(4)27(7-10-41(38,40)51)39(49)16-30(47)52-18-39/h17,19-29,31-36,43-46,48-51H,5-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C7(O)COC(=O)C7)CCC65O)C4)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-34(48)23(43)12-31(53-19)57-35-20(2)54-32(13-24(35)44)58-36-25(45)14-33(56-26(36)17-42)55-22-6-8-37(3)21(11-22)5-9-40(50)28(37)15-29(46)38(4)27(7-10-41(38,40)51)39(49)16-30(47)52-18-39/h17,19-29,31-36,43-46,48-51H,5-16,18H2,1-4H3/t19?,20?,21?,22?,23?,24?,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:19]1[CH:34]([OH:48])[CH:23]([OH:43])[CH2:12][CH:31]([O:57][CH:35]2[CH:20]([CH3:2])[O:54][CH:32]([O:58][CH:36]3[CH:25]([OH:45])[CH2:14][CH:33]([O:55][CH:22]4[CH2:6][CH2:8][C:37]5([CH3:3])[CH:21]([CH2:5][CH2:9][C:40]6([OH:50])[CH:28]5[CH2:15][CH:29]([OH:46])[C:38]5([CH3:4])[CH:27]([C:39]7([OH:49])[CH2:16][C:30](=[O:47])[O:52][CH2:18]7)[CH2:7][CH2:10][C:41]56[OH:51])[CH2:11]4)[O:56][CH:26]3[CH:17]=[O:42])[CH2:13][CH:24]2[OH:44])[O:53]1 |
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