| Properties | Image |
|---|
| MNX_ID | MNXM1179218 |
 |
| reference | envipathM:...1d086820051d |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | KKFHMPNCSGTHQV-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-18-35(51)25(45)12-32(54-18)58-36-19(2)55-33(13-26(36)46)59-37-27(47)14-34(57-28(37)16-42)56-20-5-7-38(3)21-11-30(48)39(4)29(40(52,17-43)15-31(49)50)6-8-41(39,53)22(21)10-24(44)23(38)9-20/h18-26,28-30,32-37,42-46,48,51-53H,5-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C(O)(CO)CC(=O)[O-])CCC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(51)25(45)12-32(54-18)58-36-19(2)55-33(13-26(36)46)59-37-27(47)14-34(57-28(37)16-42)56-20-5-7-38(3)21-11-30(48)39(4)29(40(52,17-43)15-31(49)50)6-8-41(39,53)22(21)10-24(44)23(38)9-20/h18-26,28-30,32-37,42-46,48,51-53H,5-17H2,1-4H3,(H,49,50)/t18?,19?,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:18]1[CH:35]([OH:51])[CH:25]([OH:45])[CH2:12][CH:32]([O:58][CH:36]2[CH:19]([CH3:2])[O:55][CH:33]([O:59][CH:37]3[C:27](=[O:47])[CH2:14][CH:34]([O:56][CH:20]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:21]6[CH2:11][CH:30]([OH:48])[C:39]7([CH3:4])[CH:29]([C:40]([CH2:15][C:31](=[O:49])[OH:50])([CH2:17][OH:43])[OH:52])[CH2:6][CH2:8][C:41]7([OH:53])[CH:22]6[CH2:10][CH:24]([OH:44])[CH:23]5[CH2:9]4)[O:57][CH:28]3[CH2:16][OH:42])[CH2:13][CH:26]2[OH:46])[O:54]1 |
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