| Properties | Image |
|---|
| MNX_ID | MNXM1179067 |
 |
| reference | envipathM:...23b3ff2e07d8 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | HZYLSTDLTXOVAS-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-36(52)25(45)12-32(54-17)58-37-18(2)55-33(13-26(37)46)59-38-27(47)14-34(57-28(38)16-43)56-21-8-20-9-24(44)35-23(39(20,3)29(48)10-21)11-30(49)40(4)22(5-6-41(35,40)53)19(15-42)7-31(50)51/h7,17-18,20-26,28-30,32-38,42-46,48-49,52-53H,5-6,8-16H2,1-4H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CC(O)C5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-36(52)25(45)12-32(54-17)58-37-18(2)55-33(13-26(37)46)59-38-27(47)14-34(57-28(38)16-43)56-21-8-20-9-24(44)35-23(39(20,3)29(48)10-21)11-30(49)40(4)22(5-6-41(35,40)53)19(15-42)7-31(50)51/h7,17-18,20-26,28-30,32-38,42-46,48-49,52-53H,5-6,8-16H2,1-4H3,(H,50,51)/b19-7?/t17?,18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:52])[CH:25]([OH:45])[CH2:12][CH:32]([O:58][CH:37]2[CH:18]([CH3:2])[O:55][CH:33]([O:59][CH:38]3[C:27](=[O:47])[CH2:14][CH:34]([O:56][CH:21]4[CH2:8][CH:20]5[CH2:9][CH:24]([OH:44])[CH:35]6[CH:23]([CH2:11][CH:30]([OH:49])[C:40]7([CH3:4])[CH:22]([C:19](=[CH:7][C:31](=[O:50])[OH:51])[CH2:15][OH:42])[CH2:5][CH2:6][C:41]67[OH:53])[C:39]5([CH3:3])[CH:29]([OH:48])[CH2:10]4)[O:57][CH:28]3[CH2:16][OH:43])[CH2:13][CH:26]2[OH:46])[O:54]1 |
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