7-epi-ginkgolide C   

GtoPdb Ligand ID: 1848

Synonyms: 7-epi-GC
2D Structure
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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
Classification
Compound class Natural product or derivative
IUPAC Name
(1S,6R,9R,13S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione
Synonyms
7-epi-GC
Database Links
CAS Registry No. 502421-87-6 (source: Scifinder)
GtoPdb PubChem SID 135652662
PubChem CID 58761009
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