IngredientID 4944
3-o-beta-d-glucopyranosyl-(1-3)-alpha-l-rhamnopyranosyl-(1-2)-alpha-l-arabino-pyranosyl-hederagenin-28-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
C65H106O32
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
- 4944
- Core Entity Id
- 8687
- Source Entity Count
- 1
- Preferred Name
- 3-o-beta-d-glucopyranosyl-(1-3)-alpha-l-rhamnopyranosyl-(1-2)-alpha-l-arabino-pyranosyl-hederagenin-28-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C65H106O32
- Molecular Weight
- 1398.6700
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-O-beta-D-Glucopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabino-pyranosyl-hederagenin-28-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1-3)-alpha-l-rhamnopyranosyl-(1-2)-alpha-l-arabino-pyranosyl-hederagenin-28-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1-3)-alpha-l-rhamnopyranosyl-(1-2)-alpha-l-arabino-pyranosyl-hederagenin-28-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-o-beta-d-glucopyranosyl-(1-3)-alpha-l-rhamnopyranosyl-(1-2)-alpha-l-arabino-pyranosyl-hederagenin-28-o-beta-d-glucopyranosyl-(1-6)-beta-d-glucopyranosyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009187
Tcmid
25676
Tcmbank
TCMBANKIN040053
Etcm Ingredient
3-O-beta-D-Glucopyranosyl-(1-3)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-arabino-pyranosyl-hederagenin-28-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester
Itcmdb Generated
ITX-INGREDIENT-CD9C952F93A8
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2003_3d_all/3443.mol2
Reference
895
Molecular Weight
1398.670
Molecular Formula
C65H106O32
Molecular Formula
C65H106O32
Molecular Formula
C65H106O32
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.037