Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17064
- Core Entity Id
- 22137
- Source Entity Count
- 1
- Preferred Name
- Digitoxose
- Name En
- Pubchem Id
- 2723626
- Smiles Canonical
- CC1C(C(CC(O1)O)O)O
- Molecular Formula
- C6H12O4
- Molecular Weight
- 148.1580
- Inchikey
- FDWRIIDFYSUTDP-WGDKFINWSA-N
- Inchi
- InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H]([C@H](CC(O1)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.1646
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Digitoxose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Digitoxose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Digitoxose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
digitoxose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-Dideoxy-D-Ribo-Hexopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-D-Ribo-Hexopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-D-Ribopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-D-Ribopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-D-Ribopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-D-Ribopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-D-Ribose
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-D-Ribose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-Ribo-Hexopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-Ribo-Hexopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-Ribopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-Ribopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-Ribopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dideoxy-Ribopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-Ribose
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dideoxy-Ribose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Dig
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Dig
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Digitoxose
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Digitoxose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,6-Dideoxy-D-Ribo-Hexopyranose2,6-Dideoxy-D-Ribopyranose2,6-Dideoxy-D-Ribopyranoside2,6-Dideoxy-D-Ribose2,6-Dideoxy-Ribo-Hexopyranose2,6-Dideoxy-Ribopyranose2,6-Dideoxy-Ribopyranoside2,6-Dideoxy-RiboseD-DigD-Digitoxose
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023785
Tcmid
5526
Pub Chem
2723626
Tcmbank
TCMBANKIN032891
Etcm Ingredient
Digitoxose
Itcmdb Generated
ITX-INGREDIENT-59360D8CE47C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1
Mol Wt
148.158
Smiles
CC1C(C(CC(O1)O)O)O
Mol Log P
-1.1646
In Ch Ikey
FDWRIIDFYSUTDP-WGDKFINWSA-N
Num Hdonors
3
Drug Likeness
0.405
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1[C@H]([C@H](CC(O1)O)O)O
Canonical Smiles
CC1C(C(CC(O1)O)O)O
Herb Alias Names
2,6-Dideoxy-D-Ribo-Hexopyranose2,6-Dideoxy-D-Ribopyranose2,6-Dideoxy-D-Ribopyranoside2,6-Dideoxy-D-Ribose2,6-Dideoxy-Ribo-Hexopyranose2,6-Dideoxy-Ribopyranose2,6-Dideoxy-Ribopyranoside2,6-Dideoxy-RiboseD-DigD-Digitoxose
Molecular Weight
148.070
Molecular Weight
148.16 g/mol
Molecular Formula
C6H12O4
Molecular Formula
C6H12O4
Molecular Formula
C6H12O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.068
Quantitative Estimate Of Drug Likeness（Qed）
0.405