| Properties | Image |
|---|
| MNX_ID | MNXM1194223 |
 |
| reference | envipathM:...1ec80c09f2e6 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | MORMFVVYSCLDBA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-16-35(49)24(43)12-31(52-16)57-37-18(3)54-32(14-26(37)45)58-36-17(2)53-30(13-25(36)44)55-20-6-7-39(4)19(8-20)9-23(42)34-22(39)11-28(47)40(5)33(27(46)15-41(34,40)51)21-10-29(48)56-38(21)50/h10,16-20,22-25,27,30-38,42-44,46,49-51H,6-9,11-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(=O)C4(C)C(C5=CC(=O)OC5O)C(O)CC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-16-35(49)24(43)12-31(52-16)57-37-18(3)54-32(14-26(37)45)58-36-17(2)53-30(13-25(36)44)55-20-6-7-39(4)19(8-20)9-23(42)34-22(39)11-28(47)40(5)33(27(46)15-41(34,40)51)21-10-29(48)56-38(21)50/h10,16-20,22-25,27,30-38,42-44,46,49-51H,6-9,11-15H2,1-5H3/t16?,17?,18?,19?,20?,22?,23?,24?,25?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[CH:35]([OH:49])[CH:24]([OH:43])[CH2:12][CH:31]([O:57][CH:37]2[CH:18]([CH3:3])[O:54][CH:32]([O:58][CH:36]3[CH:17]([CH3:2])[O:53][CH:30]([O:55][CH:20]4[CH2:6][CH2:7][C:39]5([CH3:4])[CH:19]([CH2:8]4)[CH2:9][CH:23]([OH:42])[CH:34]4[CH:22]5[CH2:11][C:28](=[O:47])[C:40]5([CH3:5])[CH:33]([C:21]6=[CH:10][C:29](=[O:48])[O:56][CH:38]6[OH:50])[CH:27]([OH:46])[CH2:15][C:41]45[OH:51])[CH2:13][CH:25]3[OH:44])[CH2:14][C:26]2=[O:45])[O:52]1 |
|