| Properties | Image |
|---|
| MNX_ID | MNXM1108044 |
 |
| reference | chebi:9188 |
| formula | C45H73NO15 |
| global charge | 0 |
| mol weight | 868.071 |
| InChIKey | ZGVSETXHNHBTRK-UDJLNJFBSA-N |
| InChI | InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/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-/m0/s1 |
| SMILES | C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/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-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]1[CH2:6][CH2:9][C@@H:27]2[C@@H:20]([CH3:2])[C@H:31]3[C@H:28]([CH2:15][C@H:26]4[C@@H:24]5[CH2:8][CH:7]=[C:22]6[CH2:14][C@@H:23]([O:57][C@H:43]7[C@H:40]([O:61][C@H:41]8[C@H:37]([OH:54])[C@H:35]([OH:52])[C@@H:32]([OH:49])[C@H:21]([CH3:3])[O:56]8)[C@@H:39]([O:60][C@H:42]8[C@H:38]([OH:55])[C@@H:36]([OH:53])[C@H:33]([OH:50])[C@@H:29]([CH2:17][OH:47])[O:58]8)[C@@H:34]([OH:51])[C@@H:30]([CH2:18][OH:48])[O:59]7)[CH2:10][CH2:12][C@:44]6([CH3:4])[C@H:25]5[CH2:11][CH2:13][C@@:45]43[CH3:5])[N:46]2[CH2:16]1 |
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