Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 58482
- Core Entity Id
- 101493
- Source Entity Count
- 1
- Preferred Name
- Acanthoside D
- Name En
- Pubchem Id
- 21603207
- Smiles Canonical
- COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
- Molecular Formula
- C34H46O18
- Molecular Weight
- 742.2700
- Inchikey
- FFDULTAFAQRACT-XKBSQSBASA-N
- Inchi
- InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,33-,34-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.4000
- Num H Donors
- 8
- Num H Acceptors
- 18
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 254.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acanthoside D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Acanthoside D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
无梗五加皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU GENG WU JIA PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sessileflower Acanthopanax Root-bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
无梗五加皮WU GENG WU JIA PISessileflower Acanthopanax Root-bark
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN057873
Etcm Ingredient
Acanthoside D
Itcmdb Generated
ITX-INGREDIENT-7469B86F677BITX-INGREDIENT-A4E0B091467D
Attributes
Merged source attributes and domain-specific metadata.
Smiles
c1(OC([H])([H])[H])c([H])c([C@]2([H])[C@]3([H])[C@@]([H])([C@@]([H])(c4c([H])c(OC([H])([H])[H])c(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])c(OC([H])([H])[H])
c4[H])OC3([H])[H])C([H])([H])O2)c([H])c(OC([H])([H])[H])c1O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O6
Tcm Name
无梗五加皮
Tcm Name2
WU GENG WU JIA PI
Mol2 Path
/TCM_database/2003_3d_all/38.mol2
Reference
6, 235, 658, 660, 661
Tcm Name En
Sessileflower Acanthopanax Root-bark
Molecular Weight
742.270
Molecular Formula
C34H46O18
Molecular Formula
C34H46O18
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.119