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
- 34225
- Core Entity Id
- 41238
- Source Entity Count
- 1
- Preferred Name
- Sumogaside
- Name En
- Pubchem Id
- 101239211
- Smiles Canonical
- CC12CCCC(C1CCC3C2=CCC(C3)(C)C(CO)O)(C)C(=O)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C26H42O9
- Molecular Weight
- 498.6130
- Inchikey
- QTMFSBGINUKCNZ-OJESHDRZSA-N
- Inchi
- InChI=1S/C26H42O9/c1-24(18(29)13-28)10-7-15-14(11-24)5-6-17-25(15,2)8-4-9-26(17,3)23(33)35-22-21(32)20(31)19(30)16(12-27)34-22/h7,14,16-22,27-32H,4-6,8-13H2,1-3H3/t14-,16+,17-,18?,19+,20-,21+,22-,24-,25-,26+/m0/s1
- Isomeric Smiles
- C[C@@]12CCC[C@@]([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C(CO)O)(C)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6319
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sumogaside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sumogaside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sumogaside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sumogaside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
朝鲜五加
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAO XIAN WU JIA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Korean Acanthopanax*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
朝鲜五加CHAO XIAN WU JIAKorean Acanthopanax*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045147
Npass
NPC83968
Tcmid
20470
Pub Chem
101239211
Tcmbank
TCMBANKIN039862
Etcm Ingredient
Sumogaside
Itcmdb Generated
ITX-INGREDIENT-D3C6F75C3ADC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H42O9/c1-24(18(29)13-28)10-7-15-14(11-24)5-6-17-25(15,2)8-4-9-26(17,3)23(33)35-22-21(32)20(31)19(30)16(12-27)34-22/h7,14,16-22,27-32H,4-6,8-13H2,1-3H3/t14-,16+,17-,18?,19+,20-,21+,22-,24-,25-,26+/m0/s1
Mol Wt
498.6130000000002
Mol Log P
0.6319000000000001
In Ch Ikey
QTMFSBGINUKCNZ-OJESHDRZSA-N
Tcm Name
朝鲜五加
Tcm Name2
CHAO XIAN WU JIA
Mol2 Path
/TCM_database/2007_3d_all/20486.mol2
Reference
4346
Num Hdonors
6
Tcm Name En
Korean Acanthopanax*
Drug Likeness
0.236
Num Hacceptors
9
Isomeric Smiles
C[C@@]12CCC[C@@]([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C(CO)O)(C)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
CC12CCCC(C1CCC3C2=CCC(C3)(C)C(CO)O)(C)C(=O)OC4C(C(C(C(O4)CO)O)O)O
Molecular Weight
498.280
Molecular Weight
498.6 g/mol
Molecular Formula
C26H42O9
Molecular Formula
C26H42O9
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.236