ITCMDBv1
IngredientID 20509

Glycoprotein

C28H47N5O18

Back to Browse

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: 5Links: 17
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
20509
Core Entity Id
25978
Source Entity Count
1
Preferred Name
Glycoprotein
Name En
Pubchem Id
439212
Smiles Canonical
CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)N)NC(=O)C)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)NC(=O)C)O
Molecular Formula
C28H47N5O18
Molecular Weight
741.7010
Inchikey
LUNCCTMWZWBSKQ-QHFAZAOBSA-N
Inchi
InChI=1S/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1
Isomeric Smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Cas Id
Ob Score
Mol Logp
-8.7814
Num H Donors
13
Num H Acceptors
18
Num Rotatable Bonds
14
Drug Likeness
0.0790
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Glycoprotein
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Glycoproteins
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
GLYCOPROTEIN
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glycoprotein
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glycoprotein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glycoprotein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glycoproteins
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Glycoproteins
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glycoproteins
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glycoproteins
Role
preferred
Source
TCMBank
Preferred
Yes
Name
glycoprotein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]butanediamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]butanediamide
Role
alias
Source
HERB_v2
Preferred
No
Name
2859-EP2270015A1
Role
alias
Source
itcmdb_public
Preferred
No
Name
2859-EP2270015A1
Role
alias
Source
HERB_v2
Preferred
No
Name
2859-EP2284159A1
Role
alias
Source
itcmdb_public
Preferred
No
Name
2859-EP2284159A1
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L96W8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L96W8
Role
alias
Source
HERB_v2
Preferred
No
Name
CPD-8582
Role
alias
Source
itcmdb_public
Preferred
No
Name
CPD-8582
Role
alias
Source
HERB_v2
Preferred
No
Name
GLYCOPROTEIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLYCOPROTEIN
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycoproteins
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycoproteins
Role
alias
Source
HERB_v2
Preferred
No
Name
Mucus glycoprotein
Role
alias
Source
HERB_v2
Preferred
No
Name
Mucus glycoprotein
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Glycoproteins(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]butanediamide2859-EP2270015A12859-EP2284159A1AC1L96W8CPD-8582Mucus glycoprotein

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN028156HBIN028157
Npass
NPC60523
Tcmid
2346942490
Sym Map
SMIT24287SMIT24288
Pub Chem
439212
Tcmbank
TCMBANKIN016494TCMBANKIN022513
Etcm Ingredient
GLYCOPROTEIN
Itcmdb Generated
ITX-INGREDIENT-8FBDD26718D7ITX-INGREDIENT-BC567518DD2FITX-INGREDIENT-EB955A50BE67

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1
Mol Wt
741.7010000000006
Smiles
CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)N)NC(=O)C)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)NC(=O)C)O
Mol Log P
-8.78140000000002
Version
v2
In Ch Ikey
LUNCCTMWZWBSKQ-QHFAZAOBSA-N
Suppress
0
Num Hdonors
13
Drug Likeness
0.079
Num Hacceptors
18
Isomeric Smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Canonical Smiles
CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)N)NC(=O)C)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)NC(=O)C)O
Herb Alias Names
(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamideGlycoproteinsAC1L96W8Mucus glycoprotein2859-EP2270015A12859-EP2284159A1CPD-8582(2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]butanediamide
Molecular Weight
741.290
Molecular Weight
741.7 g/mol
Molecular Formula
C28H47N5O18
Molecular Formula
C28H47N5O18
Molecular Formula
C28H47N5O18
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.079