| Properties | Image |
|---|
| MNX_ID | MNXM1173266 |
 |
| reference | envipathM:...3290179cabdc |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | PKLQOANPMAKVKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-35(57-32-15-26(45)36(20(2)54-32)58-33-13-24(43)34(48)27(17-42)56-33)25(44)14-31(53-19)55-23-7-8-37(3)21(11-23)5-6-28-40(50)10-9-39(49,22-12-30(47)52-18-22)38(40,4)29(46)16-41(28,37)51/h19-29,31-33,35-36,42-46,49-51H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4(O)CC(O)C4(C)C(O)(C6COC(=O)C6)CCC54O)C3)OC2C)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-35(57-32-15-26(45)36(20(2)54-32)58-33-13-24(43)34(48)27(17-42)56-33)25(44)14-31(53-19)55-23-7-8-37(3)21(11-23)5-6-28-40(50)10-9-39(49,22-12-30(47)52-18-22)38(40,4)29(46)16-41(28,37)51/h19-29,31-33,35-36,42-46,49-51H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([O:57][CH:32]2[CH2:15][CH:26]([OH:45])[CH:36]([O:58][CH:33]3[CH2:13][CH:24]([OH:43])[C:34](=[O:48])[CH:27]([CH2:17][OH:42])[O:56]3)[CH:20]([CH3:2])[O:54]2)[CH:25]([OH:44])[CH2:14][CH:31]([O:55][CH:23]2[CH2:7][CH2:8][C:37]3([CH3:3])[CH:21]([CH2:5][CH2:6][CH:28]4[C:40]5([OH:50])[CH2:10][CH2:9][C:39]([CH:22]6[CH2:12][C:30](=[O:47])[O:52][CH2:18]6)([OH:49])[C:38]5([CH3:4])[CH:29]([OH:46])[CH2:16][C:41]43[OH:51])[CH2:11]2)[O:53]1 |
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