Structure Database (LMSD)
Common Name
Silychristin B
Systematic Name
Synonyms
3D model of Silychristin B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
BMLIIPOXVWESJG-IVCPVPNBSA-N
InChi (Click to copy)
InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23-,24+/m0/s1
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)[C@@H]([C@@H](C3=CC4[C@H](CO)[C@H](C5=CC=C(O)C(OC)=C5)OC=4C(O)=C3)OC=2C=1)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
5
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
408.06
Topological Polar Surface Area
170.28
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
2.98
Molar Refractivity
120.44
Admin
Created at
8th Jun 2021
Updated at
8th Jun 2021