| Properties | Image |
|---|
| MNX_ID | MNXM1175380 |
 |
| reference | envipathM:...7ad3191204c8 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | YYSNGSPFHPNSTN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18(43)24-11-22(6-8-39(24,4)25-12-30(47)40(5)23(21-10-31(48)52-17-21)7-9-41(40,51)38(25)50)55-32-14-27(45)36(20(3)54-32)57-34-15-28(46)37(29(16-42)56-34)58-33-13-26(44)35(49)19(2)53-33/h10,19-20,22-30,32-37,42,44-47,49,51H,6-9,11-17H2,1-5H3 |
| SMILES | CC(=O)C1CC(OC2CC(O)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(CO)O3)C(C)O2)CCC1(C)C1CC(O)C2(C)C(C3=CC(=O)OC3)CCC2(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18(43)24-11-22(6-8-39(24,4)25-12-30(47)40(5)23(21-10-31(48)52-17-21)7-9-41(40,51)38(25)50)55-32-14-27(45)36(20(3)54-32)57-34-15-28(46)37(29(16-42)56-34)58-33-13-26(44)35(49)19(2)53-33/h10,19-20,22-30,32-37,42,44-47,49,51H,6-9,11-17H2,1-5H3/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][C:18]([CH:24]1[CH2:11][CH:22]([O:55][CH:32]2[CH2:14][CH:27]([OH:45])[CH:36]([O:57][CH:34]3[CH2:15][CH:28]([OH:46])[CH:37]([O:58][CH:33]4[CH2:13][CH:26]([OH:44])[CH:35]([OH:49])[CH:19]([CH3:2])[O:53]4)[CH:29]([CH2:16][OH:42])[O:56]3)[CH:20]([CH3:3])[O:54]2)[CH2:6][CH2:8][C:39]1([CH3:4])[CH:25]1[CH2:12][CH:30]([OH:47])[C:40]2([CH3:5])[CH:23]([C:21]3=[CH:10][C:31](=[O:48])[O:52][CH2:17]3)[CH2:7][CH2:9][C:41]2([OH:51])[C:38]1=[O:50])=[O:43] |
|