Synonyms: 7-epi-GC
|
|
2D Structure
|
|
Physico-chemical Properties
|
|
Hydrogen bond acceptors
|
11
|
Hydrogen bond donors
|
4
|
Rotatable bonds
|
1
|
Topological polar surface area
|
169.05
|
Molecular weight
|
440.13
|
XLogP
|
-1.09
|
No. Lipinski's rules broken
|
1
|
|
SMILES / InChI / InChIKey
|
|
Canonical SMILES
|
O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)O
|
Isomeric SMILES
|
O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)O
|
InChI
|
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5?,6-,7?,8?,9+,10?,11+,15?,17?,18?,19-,20+/m1/s1
|
InChI Key
|
AMOGMTLMADGEOQ-RNOCTPMTSA-N
|
|
|