| Properties | Image |
|---|
| MNX_ID | MNXM1191964 |
 |
| reference | envipathM:...a301203786af |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | IKEGQYPEWSFZCO-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-33(47)25(43)14-31(53-18)57-35-20(3)55-32(16-27(35)45)58-34-19(2)54-30(15-26(34)44)56-22-8-10-38(4)21(12-22)6-7-23-24(38)13-29(46)39(5)28(9-11-41(23,39)52)40(51,17-42)36(48)37(49)50/h18-26,28,30-36,42-44,47-48,51-52H,6-17H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(=O)C4(C)C(C(O)(CO)C(O)C(=O)[O-])CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-33(47)25(43)14-31(53-18)57-35-20(3)55-32(16-27(35)45)58-34-19(2)54-30(15-26(34)44)56-22-8-10-38(4)21(12-22)6-7-23-24(38)13-29(46)39(5)28(9-11-41(23,39)52)40(51,17-42)36(48)37(49)50/h18-26,28,30-36,42-44,47-48,51-52H,6-17H2,1-5H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:47])[CH:25]([OH:43])[CH2:14][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:54][CH:30]([O:56][CH:22]4[CH2:8][CH2:10][C:38]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:23]6[CH:24]5[CH2:13][C:29](=[O:46])[C:39]5([CH3:5])[CH:28]([C:40]([CH2:17][OH:42])([CH:36]([C:37](=[O:49])[OH:50])[OH:48])[OH:51])[CH2:9][CH2:11][C:41]65[OH:52])[CH2:12]4)[CH2:15][CH:26]3[OH:44])[CH2:16][C:27]2=[O:45])[O:53]1 |
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