| Properties | Image |
|---|
| MNX_ID | MNXM1192689 |
 |
| reference | envipathM:...33f7b77a0375 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | YRLQXZIIXUEPJN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-35(57-32-13-26(45)36(19(2)54-32)58-33-11-24(43)34(49)28(16-42)56-33)25(44)12-31(53-18)55-21-7-8-38(3)20(9-21)5-6-22-23(38)10-29(47)39(4)37(27(46)14-41(22,39)51)40(50)15-30(48)52-17-40/h18-28,31-37,42-46,49-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(=O)C3(C)C(C5(O)COC(=O)C5)C(O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(57-32-13-26(45)36(19(2)54-32)58-33-11-24(43)34(49)28(16-42)56-33)25(44)12-31(53-18)55-21-7-8-38(3)20(9-21)5-6-22-23(38)10-29(47)39(4)37(27(46)14-41(22,39)51)40(50)15-30(48)52-17-40/h18-28,31-37,42-46,49-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:57][CH:32]2[CH2:13][CH:26]([OH:45])[CH:36]([O:58][CH:33]3[CH2:11][CH:24]([OH:43])[CH:34]([OH:49])[CH:28]([CH2:16][OH:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:25]([OH:44])[CH2:12][CH:31]([O:55][CH:21]2[CH2:7][CH2:8][C:38]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:22]4[CH:23]3[CH2:10][C:29](=[O:47])[C:39]3([CH3:4])[CH:37]([C:40]5([OH:50])[CH2:15][C:30](=[O:48])[O:52][CH2:17]5)[CH:27]([OH:46])[CH2:14][C:41]43[OH:51])[CH2:9]2)[O:53]1 |
|