Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47222
- Core Entity Id
- 90233
- Source Entity Count
- 1
- Preferred Name
- 6'-O-Acetylacteoside
- Name En
- Pubchem Id
- 10462068
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC(=O)C)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
- Molecular Formula
- C31H38O16
- Molecular Weight
- 666.2200
- Inchikey
- JBGBPOYDCGQCJC-MWKLXWFVSA-N
- Inchi
- InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.1000
- Num H Donors
- 8
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 251.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6'-O-Acetylacteoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6'-O-Acetylacteoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
南非钩麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAN FEI GOU MA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Devil’s Clow
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南非钩麻NAN FEI GOU MADevil’s Clow
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN024484
Etcm Ingredient
6'-O-Acetylacteoside
Itcmdb Generated
ITX-INGREDIENT-6E9226F89C0FITX-INGREDIENT-741122E5F127
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
南非钩麻
Tcm Name2
NAN FEI GOU MA
Mol2 Path
/TCM_database/2007_3d_all/00306.mol2
Reference
5458
Tcm Name En
Devil’s Clow
Molecular Weight
666.220
Molecular Formula
C31H38O16
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.086