IngredientID 37683
1,1'-dibenzene-6',8',9'-trihydroxy-3-allyl-4-o-beta-d-glucopyranoside
C24H30O9
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37683
- Core Entity Id
- 57819
- Source Entity Count
- 1
- Preferred Name
- 1,1'-dibenzene-6',8',9'-trihydroxy-3-allyl-4-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 177827356
- Smiles Canonical
- C=CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)CC(CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C24H30O9
- Molecular Weight
- 462.5000
- Inchikey
- PBKDUKQCRVMDEJ-LKAGKDCTSA-N
- Inchi
- InChI=1S/C24H30O9/c1-2-3-15-10-14(17-9-13(4-6-18(17)28)8-16(27)11-25)5-7-19(15)32-24-23(31)22(30)21(29)20(12-26)33-24/h2,4-7,9-10,16,20-31H,1,3,8,11-12H2/t16?,20-,21-,22+,23-,24-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.1000
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 160.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,1'-dibenzene-6',8',9'-trihydroxy-3-allyl-4-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1'-dibenzene-6',8',9'-trihydroxy-3-allyl-4-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000395
Tcmid
5378
Attributes
Merged source attributes and domain-specific metadata.
Molecular Formula
C24H30O9