| Properties | Image |
|---|
| MNX_ID | MNXM1176153 |
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| reference | envipathM:...c3f1bb8a0982 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | USERACNUDLMIGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-16-36(51)24(44)10-32(54-16)58-37-17(2)55-33(11-25(37)45)59-38-26(46)12-34(57-28(38)14-42)56-19-6-22-23(43)8-21-20(39(22,3)29(48)7-19)9-30(49)40(4)35(18-5-31(50)53-15-18)27(47)13-41(21,40)52/h5,16-17,19-25,27-30,32-38,42-45,47-49,51-52H,6-15H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CC(O)C5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-16-36(51)24(44)10-32(54-16)58-37-17(2)55-33(11-25(37)45)59-38-26(46)12-34(57-28(38)14-42)56-19-6-22-23(43)8-21-20(39(22,3)29(48)7-19)9-30(49)40(4)35(18-5-31(50)53-15-18)27(47)13-41(21,40)52/h5,16-17,19-25,27-30,32-38,42-45,47-49,51-52H,6-15H2,1-4H3/t16?,17?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:36]([OH:51])[CH:24]([OH:44])[CH2:10][CH:32]([O:58][CH:37]2[CH:17]([CH3:2])[O:55][CH:33]([O:59][CH:38]3[C:26](=[O:46])[CH2:12][CH:34]([O:56][CH:19]4[CH2:6][CH:22]5[CH:23]([OH:43])[CH2:8][CH:21]6[CH:20]([CH2:9][CH:30]([OH:49])[C:40]7([CH3:4])[CH:35]([C:18]8=[CH:5][C:31](=[O:50])[O:53][CH2:15]8)[CH:27]([OH:47])[CH2:13][C:41]67[OH:52])[C:39]5([CH3:3])[CH:29]([OH:48])[CH2:7]4)[O:57][CH:28]3[CH2:14][OH:42])[CH2:11][CH:25]2[OH:45])[O:54]1 |
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