Structure Database (LMSD)
Common Name
Antiaroside C
Systematic Name
α-O-(β-d-glucosyl-(1-4)-α-l-rhamnosyl)-19-oxo-5β,14β-hydroxy-card-20(22)-enolide
Synonyms
3D model of Antiaroside C
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
HULMNSIAKWANQO-GRURZLBMSA-N
InChi (Click to copy)
InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1
SMILES (Click to copy)
O([C@H]1C[C@@]2([C@](CC1)([C@@]1([C@@](CC2)([C@@]2([C@](CC1)([C@](CC2)(C1COC(C=1)=O)[H])C)O)[H])[H])C=O)O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
6
Aromatic Rings
Rotatable Bonds
4
Van der Waals Molecular Volume
516.08
Topological Polar Surface Area
167.12
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
3.33
Molar Refractivity
139.38
Admin
Created at
17th Dec 2021
Updated at
17th Dec 2021