ITCMDBv1
IngredientID 2751

(2s,3r,4s,5s,6r)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

C8H16O6

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Herb: 1Ingredient: 1Target: 11Links: 12
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2751
Core Entity Id
6245
Source Entity Count
1
Preferred Name
(2s,3r,4s,5s,6r)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Name En
Pubchem Id
9815668
Smiles Canonical
CCOC1C(C(C(C(O1)CO)O)O)O
Molecular Formula
C8H16O6
Molecular Weight
208.2100
Inchikey
WYUFTYLVLQZQNH-CBQIKETKSA-N
Inchi
InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
Isomeric Smiles
CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Cas Id
Ob Score
2.6850
Mol Logp
-2.1772
Num H Donors
4
Num H Acceptors
6
Num Rotatable Bonds
3
Drug Likeness
0.4210
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(2S,3R,4S,5S,6R)-2-Ethoxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-Ethoxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-ETHOXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-ETHOXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-Ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-Ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol
Role
alias
Source
TCMBank
Preferred
No
Name
-Ethyl glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
-Ethyl glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
19467-01-7
Role
alias
Source
HERB_v2
Preferred
No
Name
19467-01-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
74JV4L4VZC
Role
alias
Source
HERB_v2
Preferred
No
Name
74JV4L4VZC
Role
alias
Source
itcmdb_public
Preferred
No
Name
ETHYL A-D-GLUCOPYRANOSIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYL A-D-GLUCOPYRANOSIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl Alpha-D-Glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl Alpha-D-Glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl alpha-d-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl alpha-d-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2S,3R,4S,5S,6R)-2-ETHOXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL(2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL(2S,3R,4S,5S,6R)-2-Ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol-Ethyl glucoside19467-01-774JV4L4VZCETHYL A-D-GLUCOPYRANOSIDEEthyl Alpha-D-GlucosideEthyl alpha-d-glucopyranoside

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN006668
Npass
NPC124963
Tcmsp
MOL012318
Sym Map
SMIT13087
Pub Chem
9815668
Tcmbank
TCMBANKIN005164

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
Mol Wt
208.21
Mol Log P
-2.177199999999999
Version
v1,v2
In Ch Ikey
WYUFTYLVLQZQNH-CBQIKETKSA-N
Ob Score
2.6852.6852516992.685252
Suppress
0
Num Hdonors
4
Drug Likeness
0.421
Num Hacceptors
6
Isomeric Smiles
CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Molecule Weight
208.24
Canonical Smiles
CCOC1C(C(C(C(O1)CO)O)O)O
Herb Alias Names
19467-01-7Ethyl Alpha-D-GlucosideEthyl alpha-d-glucopyranoside(2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL(2S,3R,4S,5S,6R)-2-Ethoxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol74JV4L4VZC(2S,3R,4S,5S,6R)-2-ETHOXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOLETHYL A-D-GLUCOPYRANOSIDE(2~{S},3~{R},4~{S},5~{S},6~{R})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol-Ethyl glucoside
Molecular Weight
208.24
Molecular Formula
C8H16O6
Num Rotatable Bonds
3