UCSF

ZINC95739642

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 41 No

Popular Name: 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11alpha,14,19-pentahydroxycard-20(22)-enolide; 3-(6-Deoxy-alpha-L-mannopyranosyloxy)-1,5,11a,14,19-pentahydroxycard-20(22)-enolide; Acocantherin; Acolongifloroside K; Astrobain; BRN 0101712; C29H44O12; CCRIS 965 3-((6-Deoxy-alpha-L-mannopyranos…

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.18 -5.08 -20.64 8 12 0 207 584.659 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.