ITCMDBv1
IngredientID 35271

Timobiose

C12H22O11

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Relationship Network

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Herb: 3Ingredient: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
35271
Core Entity Id
42389
Source Entity Count
1
Preferred Name
Timobiose
Name En
Pubchem Id
5321399
Smiles Canonical
C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O
Molecular Formula
C12H22O11
Molecular Weight
342.2970
Inchikey
HIWPGCMGAMJNRG-MEYGDINOSA-N
Inchi
InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10-,11-,12+/m1/s1
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
-5.3972
Num H Donors
8
Num H Acceptors
11
Num Rotatable Bonds
4
Drug Likeness
0.2430
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Timobiose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Timobiose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Timobiose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Timobiose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-O-beta-D-glucopyranosyl-beta-D-galactopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-O-beta-D-glucopyranosyl-beta-D-galactopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:62355
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:62355
Role
alias
Source
HERB_v2
Preferred
No
Name
Epitope ID:153218
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epitope ID:153218
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27131793
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27131793
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glc-(1->2)-beta-D-Gal
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glc-(1->2)-beta-D-Gal
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glcp-(1->2)-beta-D-Galp
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glcp-(1->2)-beta-D-Galp
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-glucopyranosyl-(1->2)-beta-D-galactopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-glucosyl-(1->2)-beta-D-galactose
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-glucosyl-(1->2)-beta-D-galactose
Role
alias
Source
itcmdb_public
Preferred
No
Name
betaGlc(1->2)betaGal
Role
alias
Source
HERB_v2
Preferred
No
Name
betaGlc(1->2)betaGal
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

2-O-beta-D-glucopyranosyl-beta-D-galactopyranoseCHEBI:62355Epitope ID:153218Q27131793beta-D-Glc-(1->2)-beta-D-Galbeta-D-Glcp-(1->2)-beta-D-Galpbeta-D-glucopyranosyl-(1->2)-beta-D-galactopyranosebeta-D-glucosyl-(1->2)-beta-D-galactosebetaGlc(1->2)betaGal

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN046425
Tcmid
21377
Sym Map
SMIT01646
Tcm Id
478
Pub Chem
5321399
Etcm Ingredient
Timobiose
Itcmdb Generated
ITX-INGREDIENT-F902337834F3

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10-,11-,12+/m1/s1
Mol Wt
342.297
Mol Log P
-5.397199999999994
Version
v1,v2
In Ch Ikey
HIWPGCMGAMJNRG-MEYGDINOSA-N
Suppress
0
Num Hdonors
8
Drug Likeness
0.243
Num Hacceptors
11
Isomeric Smiles
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
Canonical Smiles
C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O
Herb Alias Names
betaGlc(1->2)betaGalbeta-D-Glc-(1->2)-beta-D-Galbeta-D-Glcp-(1->2)-beta-D-Galpbeta-D-glucosyl-(1->2)-beta-D-galactoseCHEBI:623552-O-beta-D-glucopyranosyl-beta-D-galactopyranosebeta-D-glucopyranosyl-(1->2)-beta-D-galactopyranoseEpitope ID:153218Q27131793
Molecular Weight
342.120
Molecule Formula
C12H22O11
Molecular Formula
C12H22O11
Molecular Formula
C12H22O11
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.243