| Properties | Image |
|---|
| MNX_ID | MNXM1181265 |
 |
| reference | envipathM:...80f34cfb4e7f |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | SAMUUYHBVTWWCM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-36(57-32-13-25(45)37(19(2)54-32)58-33-11-23(43)35(49)27(16-42)56-33)24(44)12-31(53-18)55-22-6-7-38(3)21(10-22)5-8-40(50)28(38)14-29(47)39(4)34(20-9-30(48)52-17-20)26(46)15-41(39,40)51/h9,18-19,21-28,31-34,36-37,42-46,50-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4CC(=O)C4(C)C(C6=CC(=O)OC6)C(O)CC54O)C3)OC2C)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-36(57-32-13-25(45)37(19(2)54-32)58-33-11-23(43)35(49)27(16-42)56-33)24(44)12-31(53-18)55-22-6-7-38(3)21(10-22)5-8-40(50)28(38)14-29(47)39(4)34(20-9-30(48)52-17-20)26(46)15-41(39,40)51/h9,18-19,21-28,31-34,36-37,42-46,50-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:32]2[CH2:13][CH:25]([OH:45])[CH:37]([O:58][CH:33]3[CH2:11][CH:23]([OH:43])[C:35](=[O:49])[CH:27]([CH2:16][OH:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:24]([OH:44])[CH2:12][CH:31]([O:55][CH:22]2[CH2:6][CH2:7][C:38]3([CH3:3])[CH:21]([CH2:5][CH2:8][C:40]4([OH:50])[CH:28]3[CH2:14][C:29](=[O:47])[C:39]3([CH3:4])[CH:34]([C:20]5=[CH:9][C:30](=[O:48])[O:52][CH2:17]5)[CH:26]([OH:46])[CH2:15][C:41]34[OH:51])[CH2:10]2)[O:53]1 |
|