| Properties | Image |
|---|
| MNX_ID | MNXM103203 |
 |
| reference | chebi:68975 |
| formula | C48H70O16 |
| global charge | 0 |
| mol weight | 903.072 |
| InChIKey | XZEKVUGXYUJKNA-VMAKWLQMSA-N |
| InChI | InChI=1S/C48H70O16/c1-21(49)61-30-14-26-18-46(20-28(54)35-41(5,6)32(62-22(2)50)15-31(56)43(35,9)38(30)46)40(58)48(26,60)12-11-47(59)25-13-27(53)37-44(10)34(64-24(4)52)16-33(63-23(3)51)42(7,8)36(44)29(55)19-45(37,17-25)39(47)57/h25-38,53-56,59-60H,11-20H2,1-10H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,43+,44+,45-,46-,47-,48-/m0/s1 |
| SMILES | CC(=O)O[C@H]1C[C@H]2C[C@@]3(C[C@H](O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@H]13)C(=O)[C@]2(O)CC[C@@]1(O)C(=O)[C@]23C[C@@H]1C[C@H](O)[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3 |
MNX internals
| InChI (mnx) | InChI=1/C48H70O16/c1-21(49)61-30-14-26-18-46(20-28(54)35-41(5,6)32(62-22(2)50)15-31(56)43(35,9)38(30)46)40(58)48(26,60)12-11-47(59)25-13-27(53)37-44(10)34(64-24(4)52)16-33(63-23(3)51)42(7,8)36(44)29(55)19-45(37,17-25)39(47)57/h25-38,53-56,59-60H,11-20H2,1-10H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,43+,44+,45-,46-,47-,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21](=[O:49])[O:61][C@H:30]1[CH2:14][C@H:26]2[CH2:18][C@@:46]3([CH2:20][C@H:28]([OH:54])[C@@H:35]4[C:41]([CH3:5])([CH3:6])[C@@H:32]([O:62][C:22]([CH3:2])=[O:50])[CH2:15][C@H:31]([OH:56])[C@@:43]4([CH3:9])[C@H:38]13)[C:40](=[O:58])[C@@:48]2([CH2:12][CH2:11][C@:47]1([OH:59])[C@H:25]2[CH2:13][C@H:27]([OH:53])[C@H:37]3[C@:44]4([CH3:10])[C@@H:34]([O:64][C:24]([CH3:4])=[O:52])[CH2:16][C@H:33]([O:63][C:23]([CH3:3])=[O:51])[C:42]([CH3:7])([CH3:8])[C@H:36]4[C@@H:29]([OH:55])[CH2:19][C@:45]3([CH2:17]2)[C:39]1=[O:57])[OH:60] |
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