Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52371
- Core Entity Id
- 95382
- Source Entity Count
- 1
- Preferred Name
- Azukisaponin II
- Name En
- Pubchem Id
- 13326387
- Smiles Canonical
- CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C
- Molecular Formula
- C42H68O14
- Molecular Weight
- 796.4600
- Inchikey
- OKIHRVKXRCAJFQ-RVAPODRHSA-N
- Inchi
- InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 9
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 236.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Azukisaponin II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Azukisaponin II
Role
preferred
Source
TCMBank
Preferred
Yes
Name
槐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Pagodatree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
槐HUAIJapanese Pagodatree
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN045246
Etcm Ingredient
Azukisaponin II
Itcmdb Generated
ITX-INGREDIENT-12FC1C1F5EE2ITX-INGREDIENT-A84DB342630D
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
槐
Tcm Name2
HUAI
Mol2 Path
/TCM_database/2007_3d_all/02066.mol2
Reference
660
Tcm Name En
Japanese Pagodatree
Molecular Weight
796.460
Molecular Formula
C42H68O14
Fda Maximum Daily Dose (Fdamdd)
0.950
Quantitative Estimate Of Drug Likeness（Qed）
0.132