ITCMDBv1
IngredientID 19604

Galactomannan

C18H32O16

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 4Ingredient: 1Meta-analysis: 7Target: 8Links: 19
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
19604
Core Entity Id
24972
Source Entity Count
1
Preferred Name
Galactomannan
Name En
Pubchem Id
439336
Smiles Canonical
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
Molecular Formula
C18H32O16
Molecular Weight
504.4380
Inchikey
OMDQUFIYNPYJFM-XKDAHURESA-N
Inchi
InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
Cas Id
11078-30-1
Ob Score
10.9220
Mol Logp
-7.5730
Num H Donors
11
Num H Acceptors
16
Num Rotatable Bonds
7
Drug Likeness
0.1540
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Galactomannan
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Galactomannan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Galactomannan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Galactomannan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Galactomannan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Galactomannan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3S,4R,5S,6R)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4-triol
Role
alias
Source
TCMBank
Preferred
No
Name
11078-30-1
Role
alias
Source
HERB_v2
Preferred
No
Name
11078-30-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L975N
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L975N
Role
alias
Source
HERB_v2
Preferred
No
Name
C00883
Role
alias
Source
itcmdb_public
Preferred
No
Name
C00883
Role
alias
Source
TCMBank
Preferred
No
Name
C00883
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:27680
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:27680
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Galacto-D-mannan from Ceratonia siliqua
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Galacto-D-mannan from Ceratonia siliqua
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Galacto-D-mannane
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Galacto-D-mannane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Galactomannoglycan
Role
alias
Source
HERB_v2
Preferred
No
Name
Galactomannoglycan
Role
alias
Source
TCMBank
Preferred
No
Name
Galactomannoglycan
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19799345
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19799345
Role
alias
Source
itcmdb_public
Preferred
No
Name
galactomannan
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol(2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4-triol(2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4-triol(2R,3S,4R,5S,6R)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4-triol(2R,3S,4R,5S,6R)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4-triol11078-30-1AC1L975NC00883CHEBI:27680D-Galacto-D-mannan from Ceratonia siliquaD-Galacto-D-mannaneGalactomannoglycanSCHEMBL19799345

Cross References

Trusted external identifiers retained for this final record.

Cas
11078-30-1
Herb
HBIN026987
Npass
NPC214758
Tcmid
36364
Tcmsp
MOL006480
Sym Map
SMIT08090
Pub Chem
439336
Tcmbank
TCMBANKIN004978
Etcm Ingredient
Galactomannan
Itcmdb Generated
ITX-INGREDIENT-53183518EECB

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1
Mol Wt
504.4380000000002
Cas Id
11078-30-1
Smiles
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
Mol Log P
-7.572999999999989
Version
v1,v2
In Ch Ikey
OMDQUFIYNPYJFM-XKDAHURESA-N
Ob Score
10.92210.9221968610.922197
Suppress
0
Num Hdonors
11
Drug Likeness
0.154
Num Hacceptors
16
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
Molecule Weight
504.5
Canonical Smiles
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
Herb Alias Names
Galactomannoglycan11078-30-1(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolC00883D-Galacto-D-mannan from Ceratonia siliquaAC1L975ND-Galacto-D-mannaneSCHEMBL19799345CHEBI:27680
Molecular Weight
504.170
Molecular Weight
504.4 g/mol
Molecular Formula
C18H32O16
Molecular Formula
C18H32O16
Molecular Formula
C18H32O16
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.154