General Information of the Compound
| Compound ID |
CP0563355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1R,3S,4aS,8S,8aS)-3-[[(1S,4aS,6S,7R,7aS)-4-methoxycarbonyl-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl]oxy]-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H50O20
|
||||||||||||||||||
| Molecular Weight |
778.754
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@H](C[C@H]12)O[C@H]1C[C@H]2[C@@H]([C@@H](C)O1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H50O20/c1-11-17(5-13-15(29(43)45-3)9-47-31(21(11)13)53-33-27(41)25(39)23(37)18(7-35)51-33)50-20-6-14-16(30(44)46-4)10-48-32(22(14)12(2)49-20)54-34-28(42)26(40)24(38)19(8-36)52-34/h9-14,17-28,31-42H,5-8H2,1-4H3/t11-,12+,13+,14+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,31-,32-,33-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVQKIGFJHDOGDK-POFUSFJZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound