| Properties | Image |
|---|
| MNX_ID | MNXM119048 |
 |
| reference | hmdb:HMDB0034356 |
| formula | C45H73NO16 |
| global charge | 0 |
| mol weight | 884.07 |
| InChIKey | RCTKRNCKOYYRIO-UHFFFAOYSA-N |
| InChI | InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(55)38(33(51)29(18-48)58-41)60-42-39(35(53)32(50)28(17-47)59-42)61-40-36(54)34(52)31(49)21(3)56-40/h6,19-21,23-42,46-55H,7-18H2,1-5H3 |
| SMILES | CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(55)38(33(51)29(18-48)58-41)60-42-39(35(53)32(50)28(17-47)59-42)61-40-36(54)34(52)31(49)21(3)56-40/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH2:8][CH2:13][C:45]2([CH:20]([CH3:2])[CH:30]3[CH:27]([CH2:15][CH:26]4[CH:24]5[CH2:7][CH:6]=[C:22]6[CH2:14][CH:23]([O:57][CH:41]7[CH:37]([OH:55])[CH:38]([O:60][CH:42]8[CH:39]([O:61][CH:40]9[CH:36]([OH:54])[CH:34]([OH:52])[CH:31]([OH:49])[CH:21]([CH3:3])[O:56]9)[CH:35]([OH:53])[CH:32]([OH:50])[CH:28]([CH2:17][OH:47])[O:59]8)[CH:33]([OH:51])[CH:29]([CH2:18][OH:48])[O:58]7)[CH2:9][CH2:11][C:43]6([CH3:4])[CH:25]5[CH2:10][CH2:12][C:44]43[CH3:5])[O:62]2)[NH:46][CH2:16]1 |
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