Structure Database (LMSD)

Common Name
Hongguanggenin
Systematic Name
(25R)-5α-spirostan-3β,6α,23S-triol
Synonyms
LM ID
LMST01080073
Status
Active
Exact Mass
Calculate m/z
448.318875
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GDFVLFBHNREYBP-ZYUNVRTMSA-N
InChi (Click to copy)
InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15?,16+,17-,18+,19+,20-,21+,22+,23?,24+,25-,26+,27+/m1/s1
SMILES (Click to copy)
O[C@@H]1C[C@]2([H])[C@@H](O)C[C@@]3([H])[C@]4([H])C[C@@H]5O[C@]6(C(C)[C@@H]5[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)OC[C@H](C)CC6O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 475.11
Topological Polar Surface Area 81.22
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 6.23
Molar Refractivity 130.36

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Created at
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Updated at
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