| Properties | Image |
|---|
| MNX_ID | MNXM1196747 |
 |
| reference | envipathM:...3134164139e7 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | FLBWIDBJRCZHFV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-33(48)24(42)11-31(54-18)58-35-20(3)56-32(13-26(35)44)59-34-19(2)55-30(12-25(34)43)57-22-6-8-36(4)38(49,14-22)15-28(46)41(52)39(50)9-7-23(21-10-29(47)53-17-21)37(39,5)27(45)16-40(36,41)51/h10,18-20,22-23,25-28,30-35,43-46,48-52H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(C4)CC(O)C4(O)C6(O)CCC(C7=CC(=O)OC7)C6(C)C(O)CC54O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-33(48)24(42)11-31(54-18)58-35-20(3)56-32(13-26(35)44)59-34-19(2)55-30(12-25(34)43)57-22-6-8-36(4)38(49,14-22)15-28(46)41(52)39(50)9-7-23(21-10-29(47)53-17-21)37(39,5)27(45)16-40(36,41)51/h10,18-20,22-23,25-28,30-35,43-46,48-52H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:48])[C:24](=[O:42])[CH2:11][CH:31]([O:58][CH:35]2[CH:20]([CH3:3])[O:56][CH:32]([O:59][CH:34]3[CH:19]([CH3:2])[O:55][CH:30]([O:57][CH:22]4[CH2:6][CH2:8][C:36]5([CH3:4])[C:38]([OH:49])([CH2:14]4)[CH2:15][CH:28]([OH:46])[C:41]4([OH:52])[C:39]6([OH:50])[CH2:9][CH2:7][CH:23]([C:21]7=[CH:10][C:29](=[O:47])[O:53][CH2:17]7)[C:37]6([CH3:5])[CH:27]([OH:45])[CH2:16][C:40]54[OH:51])[CH2:12][CH:25]3[OH:43])[CH2:13][CH:26]2[OH:44])[O:54]1 |
|