| Properties | Image |
|---|
| MNX_ID | MNXM1195397 |
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| reference | envipathM:...3eb165765ce0 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | BRCICOXZEPARHH-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-18-33(50)23(43)11-31(54-18)58-35-20(3)56-32(13-25(35)45)59-34-19(2)55-30(12-24(34)44)57-22-7-8-37(4)21(10-22)6-9-40(52)27(37)14-28(47)38(5)36(26(46)15-41(38,40)53)39(51,17-42)16-29(48)49/h18-23,25-28,30-36,42-43,45-47,50-53H,6-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])C(O)CC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-33(50)23(43)11-31(54-18)58-35-20(3)56-32(13-25(35)45)59-34-19(2)55-30(12-24(34)44)57-22-7-8-37(4)21(10-22)6-9-40(52)27(37)14-28(47)38(5)36(26(46)15-41(38,40)53)39(51,17-42)16-29(48)49/h18-23,25-28,30-36,42-43,45-47,50-53H,6-17H2,1-5H3,(H,48,49)/t18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:50])[CH:23]([OH:43])[CH2:11][CH:31]([O:58][CH:35]2[CH:20]([CH3:3])[O:56][CH:32]([O:59][CH:34]3[CH:19]([CH3:2])[O:55][CH:30]([O:57][CH:22]4[CH2:7][CH2:8][C:37]5([CH3:4])[CH:21]([CH2:6][CH2:9][C:40]6([OH:52])[CH:27]5[CH2:14][CH:28]([OH:47])[C:38]5([CH3:5])[CH:36]([C:39]([CH2:16][C:29](=[O:48])[OH:49])([CH2:17][OH:42])[OH:51])[CH:26]([OH:46])[CH2:15][C:41]56[OH:53])[CH2:10]4)[CH2:12][C:24]3=[O:44])[CH2:13][CH:25]2[OH:45])[O:54]1 |
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