10-OBn-ginkgolide C   Click here for help

GtoPdb Ligand ID: 1837

Abbreviated name: 10-OBn-GC
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 158.05
Molecular weight 530.18
XLogP 0.7
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C1OC2C3(C1OCc1ccccc1)C(C(C1C43C(O2)(C(=O)O1)C1(C(C4O)OC(=O)C1C)O)O)C(C)(C)C
Isomeric SMILES O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C
InChI InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17+,18+,22?,24?,25?,26-,27+/m1/s1
InChI Key YPOMAFCMSAKBRX-WULOTIIESA-N
Classification Click here for help
Compound class Natural product or derivative
Database Links Click here for help
GtoPdb PubChem SID 135652653
PubChem CID 73755012
Search Google for chemical match using the InChIKey YPOMAFCMSAKBRX-WULOTIIESA-N
Search Google for chemicals with the same backbone YPOMAFCMSAKBRX
Search UniChem for chemical match using the InChIKey YPOMAFCMSAKBRX-WULOTIIESA-N
Search UniChem for chemicals with the same backbone YPOMAFCMSAKBRX