| Properties | Image |
|---|
| MNX_ID | MNXM1188669 |
 |
| reference | envipathM:...6ea278633b67 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | LIPZFNUXGCIIBA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-34(48)25(42)13-32(53-18)57-36-20(3)55-33(15-27(36)44)58-35-19(2)54-31(14-26(35)43)56-23-6-8-37(4)22(11-23)12-28(45)41(51)39(49)9-7-24(21-10-30(47)52-17-21)38(39,5)29(46)16-40(37,41)50/h10,18-20,22-26,29,31-36,42-43,46,48-51H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CC(=O)C5(O)C4(O)CC(O)C4(C)C(C6=CC(=O)OC6)CCC45O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-34(48)25(42)13-32(53-18)57-36-20(3)55-33(15-27(36)44)58-35-19(2)54-31(14-26(35)43)56-23-6-8-37(4)22(11-23)12-28(45)41(51)39(49)9-7-24(21-10-30(47)52-17-21)38(39,5)29(46)16-40(37,41)50/h10,18-20,22-26,29,31-36,42-43,46,48-51H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:25]([OH:42])[CH2:13][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][C:28](=[O:45])[C:41]4([OH:51])[C:39]6([OH:49])[CH2:9][CH2:7][CH:24]([C:21]7=[CH:10][C:30](=[O:47])[O:52][CH2:17]7)[C:38]6([CH3:5])[CH:29]([OH:46])[CH2:16][C:40]54[OH:50])[CH2:14][CH:26]3[OH:43])[CH2:15][C:27]2=[O:44])[O:53]1 |
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