| Properties | Image |
|---|
| MNX_ID | MNXM1188474 |
 |
| reference | envipathM:...87009f82aab3 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | NHNDEVHYPNMSHW-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-37(50)29(46)12-34(53-18)57-39-20(3)55-35(14-31(39)48)58-38-19(2)54-33(13-30(38)47)56-22-7-8-40(4)21(9-22)10-28(45)36-25(40)11-27(44)23(16-42)24(5-6-26(36)43)41(51)15-32(49)52-17-41/h18-25,28-31,33-39,42,45-48,50-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C(=O)CCC(C6(O)COC(=O)C6)C(CO)C(=O)CC45)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-37(50)29(46)12-34(53-18)57-39-20(3)55-35(14-31(39)48)58-38-19(2)54-33(13-30(38)47)56-22-7-8-40(4)21(9-22)10-28(45)36-25(40)11-27(44)23(16-42)24(5-6-26(36)43)41(51)15-32(49)52-17-41/h18-25,28-31,33-39,42,45-48,50-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([OH:50])[CH:29]([OH:46])[CH2:12][CH:34]([O:57][CH:39]2[CH:20]([CH3:3])[O:55][CH:35]([O:58][CH:38]3[CH:19]([CH3:2])[O:54][CH:33]([O:56][CH:22]4[CH2:7][CH2:8][C:40]5([CH3:4])[CH:21]([CH2:9]4)[CH2:10][CH:28]([OH:45])[CH:36]4[CH:25]5[CH2:11][C:27](=[O:44])[CH:23]([CH2:16][OH:42])[CH:24]([C:41]5([OH:51])[CH2:15][C:32](=[O:49])[O:52][CH2:17]5)[CH2:5][CH2:6][C:26]4=[O:43])[CH2:13][CH:30]3[OH:47])[CH2:14][CH:31]2[OH:48])[O:53]1 |
|