| Properties | Image |
|---|
| MNX_ID | MNXM1188209 |
 |
| reference | envipathM:...618f43d32a52 |
| formula | C41H64O19 |
| global charge | 0 |
| mol weight | 860.944 |
| InChIKey | NMGZZBOZFKXIIX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O19/c1-17-33(50)21(43)8-29(55-17)59-34-18(2)56-30(9-22(34)44)60-35-23(45)10-31(58-26(35)15-42)57-20-5-6-37(3)39(51,11-20)12-25(47)36-40(37,52)14-27(48)38(4)32(19-7-28(49)54-16-19)24(46)13-41(36,38)53/h7,17-18,20-27,29-36,42-48,50-53H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(C4)CC(O)C4C6(O)CC(O)C(C7=CC(=O)OC7)C6(C)C(O)CC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O19/c1-17-33(50)21(43)8-29(55-17)59-34-18(2)56-30(9-22(34)44)60-35-23(45)10-31(58-26(35)15-42)57-20-5-6-37(3)39(51,11-20)12-25(47)36-40(37,52)14-27(48)38(4)32(19-7-28(49)54-16-19)24(46)13-41(36,38)53/h7,17-18,20-27,29-36,42-48,50-53H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:50])[CH:21]([OH:43])[CH2:8][CH:29]([O:59][CH:34]2[CH:18]([CH3:2])[O:56][CH:30]([O:60][CH:35]3[CH:23]([OH:45])[CH2:10][CH:31]([O:57][CH:20]4[CH2:5][CH2:6][C:37]5([CH3:3])[C:39]([OH:51])([CH2:11]4)[CH2:12][CH:25]([OH:47])[CH:36]4[C:40]5([OH:52])[CH2:14][CH:27]([OH:48])[C:38]5([CH3:4])[CH:32]([C:19]6=[CH:7][C:28](=[O:49])[O:54][CH2:16]6)[CH:24]([OH:46])[CH2:13][C:41]45[OH:53])[O:58][CH:26]3[CH2:15][OH:42])[CH2:9][CH:22]2[OH:44])[O:55]1 |
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