| Properties | Image |
|---|
| MNX_ID | MNXM1177124 |
 |
| reference | envipathM:...c95a66767079 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | QVWWOOWTIVTJTJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-35(50)27(44)14-33(53-18)57-37-20(3)55-34(16-29(37)46)58-36-19(2)54-32(15-28(36)45)56-22-6-7-38(4)23-13-30(47)39(5)40(51,21(17-42)10-31(48)49)8-9-41(39,52)24(23)12-26(43)25(38)11-22/h10,18-20,22-28,30,32-37,42-45,47,50-52H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(50)27(44)14-33(53-18)57-37-20(3)55-34(16-29(37)46)58-36-19(2)54-32(15-28(36)45)56-22-6-7-38(4)23-13-30(47)39(5)40(51,21(17-42)10-31(48)49)8-9-41(39,52)24(23)12-26(43)25(38)11-22/h10,18-20,22-28,30,32-37,42-45,47,50-52H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:27]([OH:44])[CH2:14][CH:33]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:23]6[CH2:13][CH:30]([OH:47])[C:39]7([CH3:5])[C:40]([C:21](=[CH:10][C:31](=[O:48])[OH:49])[CH2:17][OH:42])([OH:51])[CH2:8][CH2:9][C:41]7([OH:52])[CH:24]6[CH2:12][CH:26]([OH:43])[CH:25]5[CH2:11]4)[CH2:15][CH:28]3[OH:45])[CH2:16][C:29]2=[O:46])[O:53]1 |
|