| Properties | Image |
|---|
| MNX_ID | MNXM1181773 |
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| reference | envipathM:...54358b633bd7 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | BWADEQAPPATYGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-34(49)23(43)11-31(54-18)59-36-25(45)13-32(57-27(36)16-42)58-35-19(2)55-30(12-24(35)44)56-22-6-7-37(3)21(10-22)5-8-39(50)40(37,51)15-28(47)38(4)33(20-9-29(48)53-17-20)26(46)14-41(38,39)52/h9,18-19,21-24,26-28,30-36,42-44,46-47,49-52H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5(O)CC(O)C5(C)C(C7=CC(=O)OC7)C(O)CC56O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-34(49)23(43)11-31(54-18)59-36-25(45)13-32(57-27(36)16-42)58-35-19(2)55-30(12-24(35)44)56-22-6-7-37(3)21(10-22)5-8-39(50)40(37,51)15-28(47)38(4)33(20-9-29(48)53-17-20)26(46)14-41(38,39)52/h9,18-19,21-24,26-28,30-36,42-44,46-47,49-52H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,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:34]([OH:49])[CH:23]([OH:43])[CH2:11][CH:31]([O:59][CH:36]2[C:25](=[O:45])[CH2:13][CH:32]([O:58][CH:35]3[CH:19]([CH3:2])[O:55][CH:30]([O:56][CH:22]4[CH2:6][CH2:7][C:37]5([CH3:3])[CH:21]([CH2:5][CH2:8][C:39]6([OH:50])[C:40]5([OH:51])[CH2:15][CH:28]([OH:47])[C:38]5([CH3:4])[CH:33]([C:20]7=[CH:9][C:29](=[O:48])[O:53][CH2:17]7)[CH:26]([OH:46])[CH2:14][C:41]56[OH:52])[CH2:10]4)[CH2:12][CH:24]3[OH:44])[O:57][CH:27]2[CH2:16][OH:42])[O:54]1 |
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