IngredientID 1227
2,6-bis(hydroxymethyl)-3,4,5-piperidinetriol,9ci; (2r,3r,4r,5s,6r)-form,7-o-beta-d-glucopyranoside
C13H25NO10
Relationship Network
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Ingredient: 1Target: 2Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1227
- Core Entity Id
- 4558
- Source Entity Count
- 1
- Preferred Name
- 2,6-bis(hydroxymethyl)-3,4,5-piperidinetriol,9ci; (2r,3r,4r,5s,6r)-form,7-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 457676
- Smiles Canonical
- Molecular Formula
- C13H25NO10
- Molecular Weight
- 355.3400
- Inchikey
- VCIPQQCYKMORDY-KBYFLBCBSA-N
- Inchi
- InChI=1S/C13H25NO10/c15-1-4-7(17)10(20)8(18)5(14-4)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12-,13-/m1/s1
- Isomeric Smiles
- Cas Id
- 104343-33-1
- Ob Score
- Mol Logp
- -4.6000
- Num H Donors
- 9
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 192.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-bis(hydroxymethyl)-3,4,5-piperidinetriol,9ci; (2r,3r,4r,5s,6r)-form,7-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6-bis(hydroxymethyl)-3,4,5-piperidinetriol,9ci; (2r,3r,4r,5s,6r)-form,7-o-beta-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-bis(hydroxymethyl)-3,4,5-piperidinetriol,9ci; (2r,3r,4r,5s,6r)-form,7-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
104343-33-1
Herb
HBIN004863
Tcm Id
8828
Tcmbank
TCMBANKIN009174
Attributes
Merged source attributes and domain-specific metadata.
Cas Id
104343-33-1
Molecular Weight
355.34
Molecular Formula
C13H25NO10
Molecular Formula
C13H25NO10