Type:
Small moleculeAlogP:
2.03Polar Surface Area:
175.37HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
Small moleculeAlogP:
1.73Polar Surface Area:
195.60HBA:
12HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILS
ALA4217270Name:
(E)-4beta-Methoxy-3beta-hydroxy-(-)-epsilon-viniferinMol. Formula:
C29H24O7M.W.:
484.50Type:
Small moleculeAlogP:
5.66Polar Surface Area:
119.61HBA:
7HBD:
5#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
0.79Polar Surface Area:
139.84HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
130.61HBA:
7HBD:
6#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
Small moleculeAlogP:
5.08Polar Surface Area:
121.38HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.25DETAILS - Raspberry ketone glucoside
Name:
4-(4'-hydroxyphenyl)-2-butanone-4'-O-beta-D-glucopyranosideMol. Formula:
C16H22O7M.W.:
326.35Type:
Small moleculeAlogP:
-0.61Polar Surface Area:
116.45HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - Rhapontigenin 3'-O-glucoside
Name:
Rhapontigenin 3'-O-beta-D-glucopyranosideMol. Formula:
C21H24O9M.W.:
420.41Type:
Small moleculeAlogP:
0.46Polar Surface Area:
149.07HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4210319
Name:
3,5-Dihydroxy-2-[2-(4-hydroxyphenyl)acetyl]benzoic acidMol. Formula:
C15H12O6M.W.:
288.25Type:
Small moleculeAlogP:
1.93Polar Surface Area:
115.06HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.65Polar Surface Area:
110.38HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4209002
Name:
Piceatannol 3'-O-(6\"-4-hydroxybenzoyl)-beta-D-glucopyranosideMol. Formula:
C27H26O11M.W.:
526.49Type:
Small moleculeAlogP:
1.72Polar Surface Area:
186.37HBA:
11HBD:
7#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
0.46Polar Surface Area:
149.07HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
0.37Polar Surface Area:
183.21HBA:
11HBD:
6#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
139.84HBA:
8HBD:
6#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA4203228
Name:
Piceatannol 3'-O-(6\"-E-cinnamoyl)-beta-D-glucopyranosideMol. Formula:
C29H28O10M.W.:
536.53Type:
Small moleculeAlogP:
2.42Polar Surface Area:
166.14HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
-0.82Polar Surface Area:
119.61HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-1.10Polar Surface Area:
347.96HBA:
18HBD:
12#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
52.93HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS
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