IngredientID 42968
benzyl-O-alpha-l-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
C19H28O10
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 42968
- Core Entity Id
- 85979
- Source Entity Count
- 1
- Preferred Name
- benzyl-O-alpha-l-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
- Name En
- Pubchem Id
- 10549806
- Smiles Canonical
- C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
- Molecular Formula
- C19H28O10
- Molecular Weight
- 416.0000
- Inchikey
- SMUMBCREXHTKFN-VZOUQOBNSA-N
- Inchi
- InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.0000
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 158.0000
- Molecular Volume
- 263.0000
- Alogp
- -1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
benzyl-O-alpha-l-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
benzyl-O-alpha-l-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
红花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG HUA
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.活血调经药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating menstruationregulating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红花HONG HUA8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal2.活血调经药(11-11)blood-activating menstruationregulating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN009866
Etcm Ingredient
benzyl-O-alpha-l-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-9F3629D5FD7FITX-INGREDIENT-DA1901E63933
Attributes
Merged source attributes and domain-specific metadata.
Alog P
-1
Smiles
[C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[C@]([H])(O[C@@]2([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O[C@@]([H])(OC([H])([H])c3c([H])c([H])c([H])c([H])c3[H])[C@]([H])(O[H])[C@@]1(
[H])O[H]
37 Flag
37
C Count
19
N Count
0
O Count
10
P Count
0
S Count
0
Tcm Name
红花
Mol2 Path
/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/红花/structure/benzyl-O-alpha-l-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside.mol2
Tcm Name En
HONG HUA
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
2.活血调经药(11-11)
Num H Donors
6
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-activating menstruationregulating medicinal
Num H Acceptors
10
Molecular Weight
416.170
Molecular Volume
263
Molecular Weight
416
Molecular Formula
C19H28O10
Molecular Formula
C19H28O10
Num Rotatable Bonds
6
Molecular Polar Surface Area
158
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.302