Structure Database (LMSD)
Common Name
Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside
Systematic Name
3,5,7,4'-Tetrahydroxyflavone 3-apiosyl-(1->2)-α-L-arabinofuranoside-7-rhamnoside
Synonyms
3D model of Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside
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)
CZZJPZMXCROXOH-XFAZXYSXSA-N
InChi (Click to copy)
InChI=1S/C31H36O18/c1-11-19(36)22(39)23(40)28(44-11)45-14-6-15(35)18-16(7-14)46-24(12-2-4-13(34)5-3-12)25(21(18)38)48-29-26(20(37)17(8-32)47-29)49-30-27(41)31(42,9-33)10-43-30/h2-7,11,17,19-20,22-23,26-30,32-37,39-42H,8-10H2,1H3/t11-,17-,19-,20-,22+,23+,26+,27-,28-,29-,30-,31+/m0/s1
SMILES (Click to copy)
O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1OC1=CC2OC(C3=CC=C(O)C=C3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@](CO)(O)CO4)[C@@H](O)[C@H](CO)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
575.10
Topological Polar Surface Area
294.10
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
18
logP
2.55
Molar Refractivity
166.99
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Created at
-
Updated at
17th Jun 2024