| Properties | Image |
|---|
| MNX_ID | MNXM1189111 |
 |
| reference | envipathM:...3b3993297c1d |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | VGBQYXGSBSQLAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-17-34(48)23(42)12-31(52-17)57-36-19(3)54-32(14-25(36)44)58-35-18(2)53-30(13-24(35)43)55-21-8-9-38(4)20(10-21)6-7-27-40(38,50)16-28(46)39(5)33(26(45)15-41(27,39)51)22-11-29(47)56-37(22)49/h11,17-21,23-28,30-37,42-46,48-51H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(O)C5(C)C(C7=CC(=O)OC7O)C(O)CC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-17-34(48)23(42)12-31(52-17)57-36-19(3)54-32(14-25(36)44)58-35-18(2)53-30(13-24(35)43)55-21-8-9-38(4)20(10-21)6-7-27-40(38,50)16-28(46)39(5)33(26(45)15-41(27,39)51)22-11-29(47)56-37(22)49/h11,17-21,23-28,30-37,42-46,48-51H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[CH:23]([OH:42])[CH2:12][CH:31]([O:57][CH:36]2[CH:19]([CH3:3])[O:54][CH:32]([O:58][CH:35]3[CH:18]([CH3:2])[O:53][CH:30]([O:55][CH:21]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:20]([CH2:6][CH2:7][CH:27]6[C:40]5([OH:50])[CH2:16][CH:28]([OH:46])[C:39]5([CH3:5])[CH:33]([C:22]7=[CH:11][C:29](=[O:47])[O:56][CH:37]7[OH:49])[CH:26]([OH:45])[CH2:15][C:41]65[OH:51])[CH2:10]4)[CH2:13][CH:24]3[OH:43])[CH2:14][CH:25]2[OH:44])[O:52]1 |
|