Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 12Ingredient: 1Meta-analysis: 6Reference: 2Target: 12Links: 33
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17481
- Core Entity Id
- 22599
- Source Entity Count
- 1
- Preferred Name
- Mannose
- Name En
- Pubchem Id
- 18950
- Smiles Canonical
- OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
- Molecular Formula
- C6H12O6
- Molecular Weight
- 180.1560
- Inchikey
- WQZGKKKJIJFFOK-QTVWNMPRSA-N
- Inchi
- InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
- Isomeric Smiles
- C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O
- Cas Id
- Ob Score
- 20.7114
- Mol Logp
- -3.2214
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2900
- Polar Surface Area
- 110.3800
- Molecular Volume
- 137.1900
- Alogp
- -2.5140
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
D-Mannose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Man
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Mannose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Seminose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
D-Mannose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
D-mannose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
D-mannose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
D-mannose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Man
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mannose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Mannose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mannose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mannose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Mannose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Seminose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Seminose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Seminose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
芦荟(库拉索芦荟);党参;灰毛党蔘;球花党蔘;黄精;川党参;管花党参;人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LU HUI;DANG SHEN;HUI MAO DANG SHEN;QIU HUA DANG SHEN;HUANG JING;CHUAN DANG SHEN;GUAN HUA DANG SHEN;REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kulaso Aloe Dried Juice ;Pilose Asiabell;Greyhair AsiabeII ;Subglobose Asiabell;Siberian Solomonseal;Szechwan Tangshen;Tubularflower Asiabell;Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,5]
Role
alias
Source
SymMap_v2
Preferred
No
Name
101357-07-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
101357-35-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
12046-12-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
135317-04-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
137498-12-5
Role
alias
Source
SymMap_v2
Preferred
No
Name
15572-79-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
19456-08-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
1990-29-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
1rdl
Role
alias
Source
SymMap_v2
Preferred
No
Name
1rin
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,3,4,5,6-pentahydroxyhexanal
Role
alias
Source
SymMap_v2
Preferred
No
Name
25191-16-6
Role
alias
Source
SymMap_v2
Preferred
No
Name
2595-97-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
29696-75-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
3h-mannose
Role
alias
Source
SymMap_v2
Preferred
No
Name
4205-23-6
Role
alias
Source
SymMap_v2
Preferred
No
Name
45009-62-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
7296-15-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
93780-23-5
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L2NNB
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L4HD7
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q28K7
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q28K8
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q59RC
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-2097om
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209dcn
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209g3y
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209gnm
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209gnn
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209i8g
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209kre
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209mix
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-209rex
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS009156817
Role
alias
Source
SymMap_v2
Preferred
No
Name
Aldohexose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Altrose, D-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Anhydrous dextrose
Role
alias
Source
SymMap_v2
Preferred
No
Name
C00936
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:28729
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:33917
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL1206211
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL365590
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK8G4074
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cartose
Role
alias
Source
SymMap_v2
Preferred
No
Name
Carubinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carubinose
Role
alias
Source
HERB_v2
Preferred
No
Name
Cerelose
Role
alias
Source
SymMap_v2
Preferred
No
Name
D(+)-Glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-(+)-ALTROSE
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-(+)-GLUCOSE, ACS
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-(-)-GULOSE
Role
alias
Source
SymMap_v2
Preferred
No
Name
D-Man
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Man
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Mannopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Mannose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Mannose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D07LUR
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dextropur
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dextrose (polymer)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dextrosol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Epitope ID:130701
Role
alias
Source
SymMap_v2
Preferred
No
Name
F25D46D2-AF25-42CF-BA85-09669814B5DC
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0653883
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0773891
Role
alias
Source
SymMap_v2
Preferred
No
Name
GLUCOSE (D)
Role
alias
Source
SymMap_v2
Preferred
No
Name
GZCGUPFRVQAUEE-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
Galactose, D-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Glucolin
Role
alias
Source
SymMap_v2
Preferred
No
Name
Glucose liquid
Role
alias
Source
SymMap_v2
Preferred
No
Name
HMS3651M12
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hexose #
Role
alias
Source
SymMap_v2
Preferred
No
Name
KS-00000EUO
Role
alias
Source
SymMap_v2
Preferred
No
Name
L -Mannopyranose
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-(1-14C)Glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Glucose-1-3H(N) solution
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-190682
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-194500
Role
alias
Source
SymMap_v2
Preferred
No
Name
LT03328666
Role
alias
Source
SymMap_v2
Preferred
No
Name
Man
Role
alias
Source
itcmdb_public
Preferred
No
Name
Man
Role
alias
Source
HERB_v2
Preferred
No
Name
Manalpha1,
Role
alias
Source
SymMap_v2
Preferred
No
Name
Mannopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
Mannopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mannopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mannopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Mannose
Role
alias
Source
HERB_v2
Preferred
No
Name
Mannose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mannose, D-
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-001-785-882
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC224293
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC2573
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC26247
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC406891
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC83659
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL1812
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL76882
Role
alias
Source
SymMap_v2
Preferred
No
Name
SGCUT00120
Role
alias
Source
SymMap_v2
Preferred
No
Name
Seminose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Seminose
Role
alias
Source
HERB_v2
Preferred
No
Name
Sirup
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sugar, grape
Role
alias
Source
SymMap_v2
Preferred
No
Name
TRA0021059
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-W3F28J9G0W
Role
alias
Source
SymMap_v2
Preferred
No
Name
VC30916
Role
alias
Source
SymMap_v2
Preferred
No
Name
W3F28J9G0W
Role
alias
Source
SymMap_v2
Preferred
No
Name
WLN: T6OTJ BQ CQ DQ EQ F1Q -D,GLU
Role
alias
Source
SymMap_v2
Preferred
No
Name
WQZGKKKJIJFFOK-PQMKYFCFSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
WURCS=1.0/1,0/[21122h
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC3860903
Role
alias
Source
SymMap_v2
Preferred
No
Name
aldohexoses
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-D-Man
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-D-Mannopyranose
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-D-Mannose
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-Mannose
Role
alias
Source
SymMap_v2
Preferred
No
Name
d-(1-14c)glucose
Role
alias
Source
SymMap_v2
Preferred
No
Name
to_000009
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
D-MannoseManSeminose芦荟(库拉索芦荟);党参;灰毛党蔘;球花党蔘;黄精;川党参;管花党参;人参LU HUI;DANG SHEN;HUI MAO DANG SHEN;QIU HUA DANG SHEN;HUANG JING;CHUAN DANG SHEN;GUAN HUA DANG SHEN;REN SHENKulaso Aloe Dried Juice ;Pilose Asiabell;Greyhair AsiabeII ;Subglobose Asiabell;Siberian Solomonseal;Szechwan Tangshen;Tubularflower Asiabell;Ginseng(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol1,5]101357-07-7101357-35-112046-12-7135317-04-3137498-12-515572-79-919456-08-71990-29-01rdl1rin2,3,4,5,6-pentahydroxyhexanal25191-16-62595-97-329696-75-13h-mannose4205-23-645009-62-97296-15-393780-23-5AC1L2NNBAC1L4HD7AC1Q28K7AC1Q28K8AC1Q59RCACMC-2097omACMC-209dcnACMC-209g3yACMC-209gnmACMC-209gnnACMC-209i8gACMC-209kreACMC-209mixACMC-209rexAKOS009156817AldohexoseAltrose, D-Anhydrous dextroseC00936CHEBI:28729CHEBI:33917CHEMBL1206211CHEMBL365590CTK8G4074CartoseCarubinoseCereloseD(+)-GlucoseD-(+)-ALTROSED-(+)-GLUCOSE, ACSD-(-)-GULOSED-ManD-MannopyranoseD-MannopyranosideD07LURDextropurDextrose (polymer)DextrosolEpitope ID:130701F25D46D2-AF25-42CF-BA85-09669814B5DCFT-0653883FT-0773891GLUCOSE (D)GZCGUPFRVQAUEE-UHFFFAOYSA-NGalactose, D-GlucolinGlucose liquidHMS3651M12Hexose #KS-00000EUOL -MannopyranoseL-(1-14C)GlucoseL-Glucose-1-3H(N) solutionLS-190682LS-194500LT03328666Manalpha1,MannopyranoseMannopyranosideMannose, D-MolPort-001-785-882NSC224293NSC2573NSC26247NSC406891NSC83659SCHEMBL1812SCHEMBL76882SGCUT00120SirupSugar, grapeTRA0021059UNII-W3F28J9G0WVC30916W3F28J9G0WWLN: T6OTJ BQ CQ DQ EQ F1Q -D,GLUWQZGKKKJIJFFOK-PQMKYFCFSA-NWURCS=1.0/1,0/[21122hZINC3860903aldohexosesalpha-D-Manalpha-D-Mannopyranosealpha-D-Mannosealpha-Mannosed-(1-14c)glucoseto_000009
Cross References
Trusted external identifiers retained for this final record.
Cas
29696-75-1
Hit
C0679
Herb
HBIN024327HBIN034421HBIN043673
Npass
NPC133961NPC285364NPC73906
Tcmid
1350023985328093734538307
Tcmsp
MOL000813
Sym Map
SMIT03332SMIT16431SMIT18488SMIT26745
Pub Chem
18950
Tcmbank
TCMBANKIN051368
Etcm Ingredient
D-(+)-MannoseD-mannoseMannose
Itcmdb Generated
ITX-INGREDIENT-0CE67384B2BAITX-INGREDIENT-15ABBC45AB75ITX-INGREDIENT-3EAEC0FECD08ITX-INGREDIENT-3FAE77153C5EITX-INGREDIENT-509BCAA526B5ITX-INGREDIENT-9B1F1CEB5708
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.52205
Jx
2.45778
Jy
2.692
Bic
0.7035
Cic
1.0629
Phi
2.99364
Sic
0.7035
Log D
-2.514
Sc 0
12
Sc 1
12
Sc 2
17
Type
Blood ingredients,Other ingredientsOther ingredientsOther ingredients,QC ingredients
Alog P
-2.514
Chi 0
9.30096
Chi 1
5.57458
Chi 2
4.95866
In Ch I
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
Mol Wt
180.156
Pmi X
62.8449
Energy
21.63
Sc 3 C
5
Sc 3 P
22
Smiles
C([H])([H])(O[H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])O1
Zagreb
58
Chi 3 C
0.97971
Chi 3 P
4.49873
Chi V 0
6.23817
Chi V 1
3.562
Chi V 2
2.71944
Kappa 1
10.0833
Kappa 2
3.80622
Kappa 3
1.8595
Mol Log P
-3.221399999999999
Sc 3 Ch
0
Version
v1,v2v2
Alog P Mr
35.923
Chi 3 Ch
0
Dipole X
0.27393
Dipole Y
-0.47583
Dipole Z
0.23874
Iac Mean
1.5
In Ch Ikey
WQZGKKKJIJFFOK-QTVWNMPRSA-N
Is Chiral
0
Ob Score
20.71142593
Suppress
0
Tcm Name
芦荟(库拉索芦荟);党参;灰毛党蔘;球花党蔘;黄精;川党参;管花党参;人参
Chi V 3 C
0.41528
Chi V 3 P
1.86705
Es Sum D O
0
Es Sum T N
0
E Adj Equ
113.546
E Adj Mag
172.974
Hba Count
1
Hbd Count
4
Iac Total
36
Jurs Rasa
0.25566
Jurs Rncg
0.17408
Jurs Rncs
8.76651
Jurs Rpcg
0.25305
Jurs Rpcs
2.93378
Jurs Rpsa
0.74433
Jurs Sasa
315.534
Jurs Tasa
80.6697
Jurs Tpsa
234.864
Num Atoms
12
Num Bonds
12
Num Rings
1
Shadow Xy
45.3422
Shadow Xz
29.6853
Shadow Yz
24.9208
Shadow Nu
2.05527
Tcm Name2
LU HUI;DANG SHEN;HUI MAO DANG SHEN;QIU HUA DANG SHEN;HUANG JING;CHUAN DANG SHEN;GUAN HUA DANG SHEN;REN SHEN
V Adj Equ
93.6032
V Adj Mag
110.039
Mol2 Path
/TCM_database/2003_3d_all/5188.mol2
Reference
2, 658, 660
Chi V 3 Ch
0
Dipole Mag
0.5987
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
44.657
Es Sum Ss O
4.575
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.84503
Kappa 2 Am
3.64891
Kappa 3 Am
1.76232
Num Hdonors
5
Num Chains
5
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
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
-154.195
Jurs Dpsa 3
98.4509
Jurs Fnsa 1
0.74433
Jurs Fnsa 2
-1.68258
Jurs Fnsa 3
-0.28393
Jurs Fpsa 1
0.25566
Jurs Fpsa 2
0.18554
Jurs Fpsa 3
0.02808
Jurs Pnsa 1
234.864
Jurs Pnsa 2
-530.909
Jurs Pnsa 3
-89.5891
Jurs Ppsa 1
80.6697
Jurs Ppsa 3
8.86181
Jurs Wnsa 1
74.1077
Jurs Wnsa 2
-167.52
Jurs Wnsa 3
-28.2684
Jurs Wpsa 1
25.454
Jurs Wpsa 3
2.7962
Num Pi Bonds
0
Tcm Name En
Kulaso Aloe Dried Juice ;Pilose Asiabell;Greyhair AsiabeII ;Subglobose Asiabell;Siberian Solomonseal;Szechwan Tangshen;Tubularflower Asiabell;Ginseng
Admet Psa 2 D
113.007
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
1
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-0.526
Es Sum Ss Nh2
0
Es Sum Sss Ch
-7.041
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
6
Num H Donors
5
Admet Alog P98
-2.514
Admet Ext Ppb
-20.5037
Drug Likeness
0.29
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
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
6
Num Fragments
1
Num Hydrogens
12
Num Ring Bonds
6
Organic Count
12
Rad Of Gyration
1.63822
Shadow Xyfrac
0.61968
Shadow Xzfrac
0.7123
Shadow Yzfrac
0.7
Strain Energy
7.38
Es Count Ss Ch2
1
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
180.063
Molecular Sasa
315.862
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
9.25492
Shadow Ylength
7.90608
Shadow Zlength
4.50301
Admet Bbb Level
4
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O
Molecular Savol
274.588
Molecule Weight
180.18
Num Atom Classes
12
Num Bridge Bonds
0
Num H Acceptors
6
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.58948
Admet Solubility
2.255
Canonical Smiles
C(C1C(C(C(C(O1)O)O)O)O)O
Herb Alias Names
D-ManD-MannopyranoseD-MannopyranosideManMannopyranoseMannopyranosideMannoseCarubinoseSeminose
Minimized Energy
14.25
Molecular Weight
180.060
Molecular Volume
137.19
Molecular Weight
180.156
Molecule Formula
C6H1206C6H12O6
Num Macro Chains
0
Molecular Formula
C6H12O6
Molecular Formula
C6H12O6
Molecular Formula
C6H12O6
Num Rotatable Bonds
1
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
12
Num Explicit Bonds
12
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
1
Molecular Polar Sasa
200.19
Num Bridge Head Atoms
0
Num Chain Assemblies
5
Num Meso Stereo Atoms
0
Molecular Solubility
0.663
Admet Ext Hepatotoxic
-9.68144
Admet Unknown Alog P98
0
Molecular Surface Area
174.25
Num Explicit Hydrogens
0
Num H Donors Lipinski
5
Num Pseudo Stereo Atoms
0
Admet Absorption Level
3
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
6
Molecular Polar Surface Area
110.38
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.633
Admet Ext Ppb Applicability#Md
10.5499
Fda Maximum Daily Dose (Fdamdd)
0.0010.006
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
12.6435
Admet Ext Ppb Applicability#Mdpvalue
0.713121
Molecular Fractional Polar Surface Area
0.633
Admet Ext Hepatotoxic Applicability#Md
6.29475
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.000701
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999883
Quantitative Estimate Of Drug Likeness（Qed）
0.2900.301