| Properties | Image |
|---|
| MNX_ID | MNXM103206 |
 |
| reference | chebi:68978 |
| formula | C48H66O16 |
| global charge | 0 |
| mol weight | 899.04 |
| InChIKey | NAPTWLIZMNEUSP-KCHFDYNQSA-N |
| InChI | InChI=1S/C48H66O16/c1-21(49)60-30-13-25-17-47(20-29(55)37-43(7,8)35(63-24(4)52)16-33(57)45(37,10)39(30)47)41(59)64-48(12-11-27(25)53)26-14-31(61-22(2)50)38-44(9)32(56)15-34(62-23(3)51)42(5,6)36(44)28(54)19-46(38,18-26)40(48)58/h25-26,29-39,55-57H,11-20H2,1-10H3/t25-,26-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,44+,45+,46-,47-,48-/m0/s1 |
| SMILES | CC(=O)O[C@H]1C[C@H]2C[C@@]3(CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@H]13)C(=O)[C@]21CCC(=O)[C@H]2C[C@H](OC(C)=O)[C@@H]3[C@](C2)(C[C@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C48H66O16/c1-21(49)60-30-13-25-17-47(20-29(55)37-43(7,8)35(63-24(4)52)16-33(57)45(37,10)39(30)47)41(59)64-48(12-11-27(25)53)26-14-31(61-22(2)50)38-44(9)32(56)15-34(62-23(3)51)42(5,6)36(44)28(54)19-46(38,18-26)40(48)58/h25-26,29-39,55-57H,11-20H2,1-10H3/t25-,26-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,44+,45+,46-,47-,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21](=[O:49])[O:60][C@H:30]1[CH2:13][C@H:25]2[CH2:17][C@@:47]3([CH2:20][C@H:29]([OH:55])[C@@H:37]4[C:43]([CH3:7])([CH3:8])[C@@H:35]([O:63][C:24]([CH3:4])=[O:52])[CH2:16][C@H:33]([OH:57])[C@@:45]4([CH3:10])[C@H:39]13)[C:41](=[O:59])[O:64][C@@:48]1([CH2:12][CH2:11][C:27]2=[O:53])[C@H:26]2[CH2:14][C@H:31]([O:61][C:22]([CH3:2])=[O:50])[C@H:38]3[C@:44]4([CH3:9])[C@@H:32]([OH:56])[CH2:15][C@H:34]([O:62][C:23]([CH3:3])=[O:51])[C:42]([CH3:5])([CH3:6])[C@H:36]4[C:28](=[O:54])[CH2:19][C@:46]3([CH2:18]2)[C:40]1=[O:58] |
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