Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Experiment: 1Herb: 12Ingredient: 1Reference: 11Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29784
- Core Entity Id
- 36288
- Source Entity Count
- 1
- Preferred Name
- Salidroside
- Name En
- Pubchem Id
- 159278
- Smiles Canonical
- C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C14H20O7
- Molecular Weight
- 300.3070
- Inchikey
- ILRCGYURZSFMEG-RKQHYHRCSA-N
- Inchi
- InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- Ob Score
- 7.0100
- Mol Logp
- -1.2488
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4610
- Polar Surface Area
- 119.6100
- Molecular Volume
- 234.9500
- Alogp
- -0.4430
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-Hydroxyphenethyl-Beta-D-Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
P-Hydroxyphenethyl-Beta-D-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
P-hydroxyphenethyl-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
P-hydroxyphenethyl-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Salidroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Salidroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salidroside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Salidroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
女贞子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
越橘叶; 马钱子; 狭叶红景天; 大花红景天
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUE JU YE; MA QIAN ZI; XIA YE HONG JING TIAN; DA HUA HONG JING TIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cowberry Leaf; Nut-vomitive Poisonnut; Kirilow Rhodiola ; BigfIower RhodioIa
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Ligustrum lucidum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
10338-51-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
10338-51-9
Role
alias
Source
HERB_v2
Preferred
No
Name
10338-51-9
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000366
Role
alias
Source
TCMBank
Preferred
No
Name
Glucopyranoside, p-hydroxyphenethyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Glucopyranoside, p-hydroxyphenethyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glucopyranoside, p-hydroxyphenethyl
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000478
Role
alias
Source
TCMBank
Preferred
No
Name
Rhodioloside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhodioloside
Role
alias
Source
TCMBank
Preferred
No
Name
Rhodioloside
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhodosin
Role
alias
Source
TCMBank
Preferred
No
Name
Rhodosin
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhodosin
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17580247
Role
alias
Source
TCMBank
Preferred
No
Name
Tyrosol glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tyrosol glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl
Role
alias
Source
TCMBank
Preferred
No
Name
salidroside, (-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
salidroside, (-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
sallidroside
Role
alias
Source
HERB_v2
Preferred
No
Name
sallidroside
Role
alias
Source
itcmdb_public
Preferred
No
Name
tyrosol 8-O-beta-D-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
山慈菇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Cremastra appendiculata
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asarum sagittarioides
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
p-tyrosol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
glucoside salidroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
红景天
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Rhodiola rosea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
P-Hydroxyphenethyl-Beta-D-Glucoside女贞子越橘叶; 马钱子; 狭叶红景天; 大花红景天YUE JU YE; MA QIAN ZI; XIA YE HONG JING TIAN; DA HUA HONG JING TIANCowberry Leaf; Nut-vomitive Poisonnut; Kirilow Rhodiola ; BigfIower RhodioIaLigustrum lucidum(2R,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol10338-51-92-(4-Hydroxyphenyl)ethyl beta-D-glucopyranosideACon1_000366Glucopyranoside, p-hydroxyphenethylMEGxp0_000478RhodiolosideRhodosinSCHEMBL17580247Tyrosol glucosidebeta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethylsalidroside, (-)-sallidrosidetyrosol 8-O-beta-D-glucopyranoside山慈菇Cremastra appendiculataAsarum sagittarioides2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinalp-tyrosolglucoside salidroside红景天Rhodiola rosea13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
10338-51-9
Hit
C0659
Herb
HBIN039698HBIN042249HBIN042279HBIN042854
Npass
NPC157338NPC168326
Tcmid
18777230202407437790
Tcmsp
MOL002929MOL003341
Sym Map
SMIT00172SMIT01999SMIT17462
Tcm Id
110611535115361298170591706017802378723825
Pub Chem
159278
Tcmbank
TCMBANKIN001725TCMBANKIN057156TCMBANKIN058256TCMBANKIN033406TCMBANKIN035634TCMBANKIN051872
Etcm Ingredient
p-tyrosolglucoside salidroside
Itcmdb Generated
ITX-INGREDIENT-140ED273B95EITX-INGREDIENT-952F5810626FITX-INGREDIENT-BBC8130AECA9ITX-INGREDIENT-8EB616CDAC97ITX-INGREDIENT-DC9E61ED3D16ITX-INGREDIENT-75EF956134B3ITX-INGREDIENT-8810ECB6762D
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.46328
Jx
1.75833
Jy
1.88262
Bic
0.74577
Cic
0.92903
Phi
5.65379
Sic
0.78848
Log D
-0.444
Sc 0
21
Sc 1
22
Sc 2
30
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
-0.443
Chi 0
15.4054
Chi 1
10.0241
Chi 2
8.79826
In Ch I
InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
Mol Wt
300.307
Pmi X
119.08119.364
Energy
15.3215.42
Sc 3 C
7
Sc 3 P
38
Smiles
C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O[C@@]1([H])(C([H])([H])O[H])O[C@@]([H])(OC([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]c1(C([H])([H])C([H])([H])O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c([H])c([H])c(O[H])c([H])c1[H]
Zagreb
104
37 Flag
37
Chi 3 C
1.40348
Chi 3 P
7.598417.59842
Chi V 0
11.37
Chi V 1
6.72671
Chi V 2
4.98451
C Count
14
Kappa 1
17.3554
Kappa 2
8.02222
Kappa 3
4.48753
Mol Log P
-1.248800000000001
N Count
0
O Count
7
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
71.735
Chi 3 Ch
0
Dipole X
-0.590980.59132
Dipole Y
5.455565.4713
Dipole Z
-0.002050.00399
Iac Mean
1.46991
In Ch Ikey
ILRCGYURZSFMEG-RKQHYHRCSA-N
Is Chiral
0
Ob Score
7.017.0102579737.010258
Suppress
0
Tcm Name
女贞子越橘叶; 马钱子; 狭叶红景天; 大花红景天
Chi V 3 C
0.60236
Chi V 3 P
3.45764
Es Sum D O
0
Es Sum T N
0
E Adj Equ
261.678
E Adj Mag
354.413
Hba Count
2
Hbd Count
5
Iac Total
60.2666
Jurs Rasa
0.507240.51059
Jurs Rncg
0.139
Jurs Rncs
6.76186.85116
Jurs Rpcg
0.21811
Jurs Rpcs
1.633121.79117
Jurs Rpsa
0.48940.49275
Jurs Sasa
491.861494.787
Jurs Tasa
249.497252.636
Jurs Tpsa
242.15242.365
Num Atoms
21
Num Bonds
22
Num Rings
2
Shadow Xy
82.479982.7337
Shadow Xz
49.005249.0309
Shadow Yz
28.49728.5077
Shadow Nu
3.665533.66967
Tcm Name2
YUE JU YE; MA QIAN ZI; XIA YE HONG JING TIAN; DA HUA HONG JING TIAN
V Adj Equ
206.51
V Adj Mag
240.215
Mol2 Path
/TCM_database/13.补虚药(60-62)/4.补阴药(17-17)/女贞子/3D/salidroside.mol2/TCM_database/2003_3d_all/7471.mol2
Reference
2, 6, 218, 516
Chi V 3 Ch
0
Dipole Mag
5.487475.50316
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
47.254
Es Sum Ss O
10.578
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
16.3129
Kappa 2 Am
7.27826
Kappa 3 Am
3.98302
Num Hdonors
5
Num Chains
6
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
6.601
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
1.102
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
0
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-293.327-297.218
Jurs Dpsa 3
106.806106.932
Jurs Fnsa 1
0.798180.80034
Jurs Fnsa 2
-2.25958-2.26572
Jurs Fnsa 3
-0.19677-0.19788
Jurs Fpsa 1
0.199650.20181
Jurs Fpsa 2
0.170450.17231
Jurs Fpsa 3
0.019090.01952
Jurs Pnsa 1
392.594396.003
Jurs Pnsa 2
-1111.4-1121.05
Jurs Pnsa 3
-97.3269-97.3589
Jurs Ppsa 1
98.784299.2673
Jurs Ppsa 3
9.447579.60486
Jurs Wnsa 1
193.102195.937
Jurs Wnsa 2
-546.653-554.679
Jurs Wnsa 3
-47.8713-48.1719
Jurs Wpsa 1
48.825748.8771
Jurs Wpsa 3
4.674534.72426
Num Pi Bonds
0
Tcm Name En
Cowberry Leaf; Nut-vomitive Poisonnut; Kirilow Rhodiola ; BigfIower RhodioIaLigustrum lucidum
Level1 Name
13.补虚药(60-62)
Level2 Name
4.补阴药(17-17)
Admet Psa 2 D
121.937
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
5
Es Count Ss O
2
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0.255
Es Sum Ss Nh2
0
Es Sum Sss Ch
-6.294
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
7
Num H Donors
5
Admet Alog P98
-0.443
Admet Ext Ppb
-20.3377
Drug Likeness
0.461
Es Count Aa Ch
4
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
2
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
0
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
7
Num Fragments
1
Num Hydrogens
20
Num Ring Bonds
12
Organic Count
21
Rad Of Gyration
3.3263.33256
Shadow Xyfrac
0.576950.57916
Shadow Xzfrac
0.76685
Shadow Yzfrac
0.7315
Strain Energy
17.9918.21
Es Count Ss Ch2
3
Es Count Ss Nh2
0
Es Count Sss Ch
5
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
300.121
Molecular Sasa
480.73
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
15.30515.3177
Shadow Ylength
9.332839.33353
Shadow Zlength
4.174124.17538
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
yin-tonifying medicinal
Admet Bbb Level
4
Isomeric Smiles
C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Molecular Savol
418.684
Molecule Weight
300.34
Num Atom Classes
19
Num Bridge Bonds
0
Num H Acceptors
7
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.90713
Admet Solubility
-0.088
Canonical Smiles
C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
Herb Alias Names
Salidroside10338-51-9RhodiolosideRhodosinsallidrosidesalidroside, (-)-(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triolGlucopyranoside, p-hydroxyphenethylTyrosol glucoside(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-3,4,5-triol
Minimized Energy
-2.67-2.79
Molecular Weight
300.120
Molecular Volume
234.95235.64
Molecular Weight
300.3 g/mol300.304
Molecule Formula
C14H20O7
Num Macro Chains
0
Molecular Formula
C14H20O7
Molecular Formula
C14H20O7
Molecular Formula
C14H20O7
Num Rotatable Bonds
5
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
21
Num Explicit Bonds
22
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
5
Molecular Polar Sasa
206.221
Num Bridge Head Atoms
0
Num Chain Assemblies
6
Num Meso Stereo Atoms
0
Molecular Solubility
-1.3
Admet Ext Hepatotoxic
-11.8516
Admet Unknown Alog P98
0
Molecular Surface Area
295.92
Num Explicit Hydrogens
0
Num H Donors Lipinski
5
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
7
Molecular Polar Surface Area
119.61
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.428
Admet Ext Ppb Applicability#Md
11.7295
Fda Maximum Daily Dose (Fdamdd)
0.003
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
13.9184
Admet Ext Ppb Applicability#Mdpvalue
0.165489
Molecular Fractional Polar Surface Area
0.404
Admet Ext Hepatotoxic Applicability#Md
8.5493
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.0000323.2e-05
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.68213
Quantitative Estimate Of Drug Likeness（Qed）
0.461