| Properties | Image |
|---|
| MNX_ID | MNXM1138321 |
 |
| reference | envipathM:...129d44fbe5df |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | AVWMFXOSUWHQQR-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-35(49)27(44)14-31(53-18)57-36-19(2)54-32(15-28(36)45)58-37-20(3)55-33(17-52-38(37)50)56-23-6-8-39(4)22(11-23)12-26(43)34-25(39)13-29(46)40(5)24(7-9-41(34,40)51)21(16-42)10-30(47)48/h10,16,18-20,22-29,31-37,43-46,49,51H,6-9,11-15,17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3CC(O)C3(C)C(C(C=O)=CC(=O)[O-])CCC23O)COC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(49)27(44)14-31(53-18)57-36-19(2)54-32(15-28(36)45)58-37-20(3)55-33(17-52-38(37)50)56-23-6-8-39(4)22(11-23)12-26(43)34-25(39)13-29(46)40(5)24(7-9-41(34,40)51)21(16-42)10-30(47)48/h10,16,18-20,22-29,31-37,43-46,49,51H,6-9,11-15,17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[CH:27]([OH:44])[CH2:14][CH:31]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:32]([O:58][CH:37]3[CH:20]([CH3:3])[O:55][CH:33]([O:56][CH:23]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][CH:26]([OH:43])[CH:34]4[CH:25]5[CH2:13][CH:29]([OH:46])[C:40]5([CH3:5])[CH:24]([C:21](=[CH:10][C:30](=[O:47])[OH:48])[CH:16]=[O:42])[CH2:7][CH2:9][C:41]45[OH:51])[CH2:17][O:52][C:38]3=[O:50])[CH2:15][CH:28]2[OH:45])[O:53]1 |
|