| Properties | Image |
|---|
| MNX_ID | MNXM1177332 |
 |
| reference | envipathM:...c4cdf190d927 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | FMVMWZDEEIFTDD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-35(50)22(43)10-32(54-17)59-37-24(45)12-33(57-26(37)15-42)58-36-18(2)55-31(11-23(36)44)56-21-5-6-38(3)20(8-21)9-29(48)41(52)27(38)13-28(47)39(4)34(19-7-30(49)53-16-19)25(46)14-40(39,41)51/h7,17-18,20-23,25-29,31-37,42-44,46-48,50-52H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4(O)C5CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC54O)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-35(50)22(43)10-32(54-17)59-37-24(45)12-33(57-26(37)15-42)58-36-18(2)55-31(11-23(36)44)56-21-5-6-38(3)20(8-21)9-29(48)41(52)27(38)13-28(47)39(4)34(19-7-30(49)53-16-19)25(46)14-40(39,41)51/h7,17-18,20-23,25-29,31-37,42-44,46-48,50-52H,5-6,8-16H2,1-4H3/t17?,18?,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:17]1[CH:35]([OH:50])[CH:22]([OH:43])[CH2:10][CH:32]([O:59][CH:37]2[C:24](=[O:45])[CH2:12][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:55][CH:31]([O:56][CH:21]4[CH2:5][CH2:6][C:38]5([CH3:3])[CH:20]([CH2:8]4)[CH2:9][CH:29]([OH:48])[C:41]4([OH:52])[CH:27]5[CH2:13][CH:28]([OH:47])[C:39]5([CH3:4])[CH:34]([C:19]6=[CH:7][C:30](=[O:49])[O:53][CH2:16]6)[CH:25]([OH:46])[CH2:14][C:40]54[OH:51])[CH2:11][CH:23]3[OH:44])[O:57][CH:26]2[CH2:15][OH:42])[O:54]1 |
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