| Properties | Image |
|---|
| MNX_ID | MNXM1183281 |
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| reference | envipathM:...3dbe4e86f8d4 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | ZPRBXOLEBRKFCZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-18-34(50)25(43)12-32(54-18)58-36-20(3)56-33(14-27(36)45)59-35-19(2)55-31(13-26(35)44)57-22-8-9-37(4)21(10-22)6-7-23-24(37)11-28(46)38(5)40(23,52)15-29(47)41(38,53)39(51,17-42)16-30(48)49/h18-24,26-29,31-36,42,44-47,50-53H,6-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C6(O)CC(O)C5(O)C(O)(CO)CC(=O)[O-])C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-34(50)25(43)12-32(54-18)58-36-20(3)56-33(14-27(36)45)59-35-19(2)55-31(13-26(35)44)57-22-8-9-37(4)21(10-22)6-7-23-24(37)11-28(46)38(5)40(23,52)15-29(47)41(38,53)39(51,17-42)16-30(48)49/h18-24,26-29,31-36,42,44-47,50-53H,6-17H2,1-5H3,(H,48,49)/t18?,19?,20?,21?,22?,23?,24?,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:34]([OH:50])[C:25](=[O:43])[CH2:12][CH:32]([O:58][CH:36]2[CH:20]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:19]([CH3:2])[O:55][CH:31]([O:57][CH:22]4[CH2:8][CH2:9][C:37]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:23]6[CH:24]5[CH2:11][CH:28]([OH:46])[C:38]5([CH3:5])[C:40]6([OH:52])[CH2:15][CH:29]([OH:47])[C:41]5([C:39]([CH2:16][C:30](=[O:48])[OH:49])([CH2:17][OH:42])[OH:51])[OH:53])[CH2:10]4)[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:54]1 |
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