Structure Database (LMSD)

Common Name
Osladin
Systematic Name
26-O-α-L-rhamnopyranosyl-(22R,25S,26R)-22,26-expoxy-6-oxo-5α-cholestan-3β,26-diol-3-O-α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranoside
Synonyms
LM ID
LMST01010612
Formula
Exact Mass
Calculate m/z
886.492605
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Polypodium vulgare (#58048)
Polypodiopsida (#241806)
Osladin, a sweet princple of polypodium vulgare. Structure revision,
Tetrahedron Letts, 1992

String Representations

InChiKey (Click to copy)
QZOALWMSYRBZSA-QZLZDTQYSA-N
InChi (Click to copy)
InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+/m0/s1
SMILES (Click to copy)
C1C[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@]2([H])C(=O)C[C@@]3([H])[C@@]4(CC[C@]([H])([C@H](C)[C@@H]5O[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](C)CC5)[C@@]4(C)CC[C@]3([H])[C@@]12C)[H]

Other Databases

Wikipedia
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 62
Rings 8
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 834.97
Topological Polar Surface Area 272.03
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 17
logP 5.92
Molar Refractivity 224.84

Admin

Created at
10th Jan 2024
Updated at
10th Jan 2024