| Properties | Image |
|---|
| MNX_ID | MNXM1188687 |
 |
| reference | envipathM:...fbb181338b0d |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | PZNVVTZDUSSVAZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-35(49)24(43)11-32(53-17)57-37-19(3)55-33(13-26(37)45)58-36-18(2)54-31(12-25(36)44)56-21-6-7-38(4)22(9-21)23(42)10-28-40(38,50)15-29(47)39(5)34(20-8-30(48)52-16-20)27(46)14-41(28,39)51/h8,17-19,21-25,27-29,31-37,42-44,46-47,49-51H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4(O)CC(O)C4(C)C(C5=CC(=O)OC5)C(O)CC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-35(49)24(43)11-32(53-17)57-37-19(3)55-33(13-26(37)45)58-36-18(2)54-31(12-25(36)44)56-21-6-7-38(4)22(9-21)23(42)10-28-40(38,50)15-29(47)39(5)34(20-8-30(48)52-16-20)27(46)14-41(28,39)51/h8,17-19,21-25,27-29,31-37,42-44,46-47,49-51H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:24]([OH:43])[CH2:11][CH:32]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:21]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:22]([CH2:9]4)[CH:23]([OH:42])[CH2:10][CH:28]4[C:40]5([OH:50])[CH2:15][CH:29]([OH:47])[C:39]5([CH3:5])[CH:34]([C:20]6=[CH:8][C:30](=[O:48])[O:52][CH2:16]6)[CH:27]([OH:46])[CH2:14][C:41]45[OH:51])[CH2:12][CH:25]3[OH:44])[CH2:13][C:26]2=[O:45])[O:53]1 |
|