NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.49
Van der Waals volume 494.34
Polar Surface Area 234.29
Van der Waals Surface Area 746.94
Refractivity 80.13

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ELEMENTAL PROPERTIESExact Mass 594.158
Isotope Formula C27H30O15
Dot Disconnected Formula C27H30O15
Dot Disconnected Isotope Formula C27H30O15
Composition C (54.55%), H (5.09%), O (40.37%)
Isotope Composition C (54.55%), H (5.09%), O (40.37%)
Donor Sites 8
Donor Count 8
Acceptor Sites 16
Acceptor Count 15


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TOPOLOGICAL PROPERTIESAtom Count72
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 17
Asymmetric Atom Count 9
Bond Count 76
Chain Atom Count 14
Chain Bond Count 17
Chiral Center Count 9
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.