Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3625
- Core Entity Id
- 7215
- Source Entity Count
- 1
- Preferred Name
- 3,6-anhydro-l-galactose dimethyl acetal
- Name En
- Pubchem Id
- 20835708
- Smiles Canonical
- COC(C(C1C(C(CO1)O)O)O)OC
- Molecular Formula
- C8H16O6
- Molecular Weight
- 208.2100
- Inchikey
- NEVJSDCAIXBUDB-BNHYGAARSA-N
- Inchi
- InChI=1S/C8H16O6/c1-12-8(13-2)6(11)7-5(10)4(9)3-14-7/h4-11H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1
- Isomeric Smiles
- COC([C@H]([C@H]1[C@@H]([C@H](CO1)O)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- -1.9132
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,6-anhydro-l-galactose dimethyl acetal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,6-anhydro-l-galactose dimethyl acetal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,6-anhydro-l-galactose dimethyl acetal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007705
Tcmid
1269
Pub Chem
20835708
Tcmbank
TCMBANKIN013954
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H16O6/c1-12-8(13-2)6(11)7-5(10)4(9)3-14-7/h4-11H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1
Mol Wt
208.21
Smiles
COC(C(C1C(C(CO1)O)O)O)OC
Mol Log P
-1.913199999999999
In Ch Ikey
NEVJSDCAIXBUDB-BNHYGAARSA-N
Num Hdonors
3
Drug Likeness
0.467
Num Hacceptors
6
Isomeric Smiles
COC([C@H]([C@H]1[C@@H]([C@H](CO1)O)O)O)OC
Canonical Smiles
COC(C(C1C(C(CO1)O)O)O)OC
Molecular Weight
208.21 g/mol
Molecular Formula
C8H16O6
Molecular Formula
C8H16O6
Num Rotatable Bonds
4