| Properties | Image |
|---|
| MNX_ID | MNXM1197179 |
 |
| reference | envipathM:...e3fa25341abb |
| formula | C41H67O19 |
| global charge | -1 |
| mol weight | 863.968 |
| InChIKey | ZJPVYRZJRIRUEJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H68O19/c1-17-34(52)24(45)10-32(55-17)60-36-26(47)12-33(58-28(36)15-42)59-35-18(2)56-31(11-25(35)46)57-19-5-6-38(3)20-9-29(49)39(4)37(40(53,16-43)14-30(50)51)27(48)13-41(39,54)21(20)8-23(44)22(38)7-19/h17-29,31-37,42-49,52-54H,5-16H2,1-4H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C(O)(CO)CC(=O)[O-])C(O)CC45O)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H68O19/c1-17-34(52)24(45)10-32(55-17)60-36-26(47)12-33(58-28(36)15-42)59-35-18(2)56-31(11-25(35)46)57-19-5-6-38(3)20-9-29(49)39(4)37(40(53,16-43)14-30(50)51)27(48)13-41(39,54)21(20)8-23(44)22(38)7-19/h17-29,31-37,42-49,52-54H,5-16H2,1-4H3,(H,50,51)/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:52])[CH:24]([OH:45])[CH2:10][CH:32]([O:60][CH:36]2[CH:26]([OH:47])[CH2:12][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:56][CH:31]([O:57][CH:19]4[CH2:5][CH2:6][C:38]5([CH3:3])[CH:20]6[CH2:9][CH:29]([OH:49])[C:39]7([CH3:4])[CH:37]([C:40]([CH2:14][C:30](=[O:50])[OH:51])([CH2:16][OH:43])[OH:53])[CH:27]([OH:48])[CH2:13][C:41]7([OH:54])[CH:21]6[CH2:8][CH:23]([OH:44])[CH:22]5[CH2:7]4)[CH2:11][CH:25]3[OH:46])[O:58][CH:28]2[CH2:15][OH:42])[O:55]1 |
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