IngredientID 16868

D-glucan

C18H32O16

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

Herb: 12Ingredient: 1Meta-analysis: 12Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 16868
Core Entity Id: 21919
Source Entity Count: 1
Preferred Name: D-glucan
Name En
Pubchem Id: 439262
Smiles Canonical: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Molecular Formula: C18H32O16
Molecular Weight: 504.4380
Inchikey: FYGDTMLNYKFZSV-UHFFFAOYSA-N
Inchi: InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2
Isomeric Smiles: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Cas Id: 9051-97-2
Ob Score: 0.7320
Mol Logp: -7.5730
Num H Donors: 11
Num H Acceptors: 16
Num Rotatable Bonds: 7
Drug Likeness: 0.1540
Polar Surface Area: 269.0000
Molecular Volume: 302.0000
Alogp: -6.0000

Names

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

Name

Beta-Glucan

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

D-Glucan

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Polysaccharide

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Beta-Glucan

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Beta-Glucan

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Beta-Glucan

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Beta-glucan

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Beta-glucan

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

D-Glucan

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

D-glucan

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

D-glucan

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Dextrine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Polysaccharide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Polysaccharide

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Polysaccharide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Polysaccharide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Polysaccharide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

dextrine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

冬虫夏草

Role

TCM_name

Source

TCMBank

Preferred

Name

Cordyceps sinensis

Role

TCM_name2

Source

TCMBank

Preferred

Name

Cordyceps sinensis

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

1109-28-0

Role

alias

Source

itcmdb_public

Preferred

Name

1109-28-0

Role

alias

Source

HERB_v2

Preferred

Name

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

44FQ49X6UN

Role

alias

Source

HERB_v2

Preferred

Name

44FQ49X6UN

Role

alias

Source

itcmdb_public

Preferred

Name

66580-68-5

Role

alias

Source

itcmdb_public

Preferred

Name

66580-68-5

Role

alias

Source

HERB_v2

Preferred

Name

9037-55-2

Role

alias

Source

HERB_v2

Preferred

Name

9037-55-2

Role

alias

Source

itcmdb_public

Preferred

Name

9041-22-9

Role

alias

Source

HERB_v2

Preferred

Name

9041-22-9

Role

alias

Source

itcmdb_public

Preferred

Name

AMYLOSE

Role

alias

Source

itcmdb_public

Preferred

Name

AMYLOSE

Role

alias

Source

HERB_v2

Preferred

Name

CCRIS 8998

Role

alias

Source

itcmdb_public

Preferred

Name

CCRIS 8998

Role

alias

Source

HERB_v2

Preferred

Name

D-Galactan

Role

alias

Source

HERB_v2

Preferred

Name

D-Galactan

Role

alias

Source

itcmdb_public

Preferred

Name

D-glucan

Role

alias

Source

TCMBank

Preferred

Name

Epiglucan

Role

alias

Source

itcmdb_public

Preferred

Name

Epiglucan

Role

alias

Source

HERB_v2

Preferred

Name

Globotriose

Role

alias

Source

itcmdb_public

Preferred

Name

Globotriose

Role

alias

Source

HERB_v2

Preferred

Name

UNII-44FQ49X6UN

Role

alias

Source

HERB_v2

Preferred

Name

UNII-44FQ49X6UN

Role

alias

Source

itcmdb_public

Preferred

Name

amylase

Role

alias

Source

TCMBank

Preferred

Name

b-D-Glucan

Role

alias

Source

itcmdb_public

Preferred

Name

b-D-Glucan

Role

alias

Source

HERB_v2

Preferred

Name

beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose

Role

alias

Source

itcmdb_public

Preferred

Name

beta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactose

Role

alias

Source

HERB_v2

Preferred

Name

beta-D-Glucan

Role

alias

Source

itcmdb_public

Preferred

Name

beta-D-Glucan

Role

alias

Source

HERB_v2

Preferred

Name

beta-Glucan

Role

alias

Source

itcmdb_public

Preferred

Name

beta-Glucan

Role

alias

Source

HERB_v2

Preferred

Name

beta-Glucans

Role

alias

Source

HERB_v2

Preferred

Name

beta-Glucans

Role

alias

Source

itcmdb_public

Preferred

Name

beta-Glucosylglucan

Role

alias

Source

HERB_v2

Preferred

Name

beta-Glucosylglucan

Role

alias

Source

itcmdb_public

Preferred

Name

dextrin

Role

alias

Source

TCMBank

Preferred

Name

maltotriose

Role

alias

Source

HERB_v2

Preferred

Name

maltotriose

Role

alias

Source

itcmdb_public

Preferred

Name

polysaccharide

Role

alias

Source

TCMBank

Preferred

Name

13.补虚药(60-62)

Role

level1_name

Source

TCMBank

Preferred

Name

tonifying and replenishing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

2.补阳药(22-23)

Role

level2_name

Source

TCMBank

Preferred

Name

yang-tonifying medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Beta-GlucanPolysaccharideDextrine冬虫夏草Cordyceps sinensis(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol1109-28-02-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol44FQ49X6UN66580-68-59037-55-29041-22-9AMYLOSECCRIS 8998D-GalactanEpiglucanGlobotrioseUNII-44FQ49X6UNamylaseb-D-Glucanbeta-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-galactosebeta-D-Glucanbeta-Glucansbeta-Glucosylglucandextrinmaltotriose13.补虚药(60-62)tonifying and replenishing medicinal2.补阳药(22-23)yang-tonifying medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas

9051-97-2

Herb

HBIN015940HBIN018129HBIN023510HBIN023527HBIN040492

Npass

NPC128987NPC282595

Tcmid

2362935842

Tcmsp

MOL000278

Sym Map

SMIT02912SMIT23252SMIT23520SMIT26218

Tcm Id

1685

Pub Chem

43926271312131871

Tcmbank

TCMBANKIN001058TCMBANKIN018385TCMBANKIN057952

Etcm Ingredient

Beta-GlucanPolysaccharide

Itcmdb Generated

ITX-INGREDIENT-0C520026BA1CITX-INGREDIENT-1CA0F700DC0AITX-INGREDIENT-2A2C1FF6DE1AITX-INGREDIENT-85C7A4B9DF4BITX-INGREDIENT-9F22E019CC7FITX-INGREDIENT-E1AA7C4C8F43

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

-6

In Ch I

InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/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

9051-97-2

Smiles

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)OC([H])([H])(O[H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H]) O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]C1C(C(OC(C1O)OC2C(C(OC(C2O)OC3C(COC(C3O)CO)O)CO)O)CO)O

37 Flag

C Count

Mol Log P

-7.572999999999989

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

FYGDTMLNYKFZSV-UHFFFAOYSA-NFYGDTMLNYKFZSV-URKRLVJHSA-N

Ob Score

0.7320.7321040.73210437111.475457

Suppress

Tcm Name

冬虫夏草

Tcm Name2

Cordyceps sinensis

Mol2 Path

/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/冬虫夏草/Cordyceps sinensis/structure/Polysaccharide.mol2

Num Hdonors

Tcm Name En

Cordyceps sinensis

Level1 Name

13.补虚药(60-62)

Level2 Name

2.补阳药(22-23)

Num H Donors

Drug Likeness

0.154

Num Hacceptors

Level1 Name En

tonifying and replenishing medicinal

Level2 Name En

yang-tonifying medicinal

Isomeric Smiles

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)OC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O

Molecule Weight

516.56

Num H Acceptors

Canonical Smiles

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O

Herb Alias Names

9041-22-9beta-D-Glucanbeta-Glucansbeta-GlucosylglucanEpiglucanCCRIS 8998(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolUNII-44FQ49X6UN44FQ49X6UN

Molecular Weight

504.170516.210

Molecular Volume

302

Molecular Weight

472.4 g/mol504504.4 g/mol

Molecular Formula

C18H32O16C20H36O15

Molecular Formula

C18H32O14C18H32O16

Molecular Formula

C18H32O16

Num Rotatable Bonds

Molecular Polar Surface Area

269

Fda Maximum Daily Dose (Fdamdd)

0.000

Quantitative Estimate Of Drug Likeness（Qed）

0.1460.154