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
- 36970
- Core Entity Id
- 44293
- Source Entity Count
- 1
- Preferred Name
- Yemuoside ym13
- Name En
- Pubchem Id
- 127047344
- Smiles Canonical
- CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)OC5C(C(C(CO5)O)O)O)O)C)CC=C6C3(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C
- Molecular Formula
- C51H80O21
- Molecular Weight
- 1028.5200
- Inchikey
- RIZCKBXBKJOKIK-TZOJKCSYSA-N
- Inchi
- InChI=1S/C51H80O21/c1-22-9-14-51(46(64)72-45-39(62)36(59)34(57)28(69-45)21-67-42-38(61)35(58)33(56)27(18-52)68-42)16-15-49(5)23(24(51)17-22)7-8-30-48(4)12-11-31(47(2,3)29(48)10-13-50(30,49)6)70-44-40(63)41(26(54)20-66-44)71-43-37(60)32(55)25(53)19-65-43/h7,24-45,52-63H,1,8-21H2,2-6H3/t24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,48-,49+,50+,51-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.8000
- Num H Donors
- 12
- Num H Acceptors
- 21
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 334.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yemuoside Ym13
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Yemuoside YM13
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Yemuoside YM13
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Yemuoside Ym13
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Yemuoside ym13
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Yemuoside ym13
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
野木瓜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE MU GUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Stauntonvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
野木瓜YE MU GUAChinese Stauntonvine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048603
Tcmid
22875
Sym Map
SMIT27492
Tcmbank
TCMBANKIN047562
Etcm Ingredient
Yemuoside YM13
Itcmdb Generated
ITX-INGREDIENT-0319403998DEITX-INGREDIENT-8FC938AE0342
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
野木瓜
Tcm Name2
YE MU GUA
Mol2 Path
/TCM_database/2007_3d_all/22891.mol2
Reference
660
Tcm Name En
Chinese Stauntonvine
Molecular Weight
1028.520
Molecular Formula
C51H80O21
Molecular Formula
C51H80O21
Fda Maximum Daily Dose (Fdamdd)
0.867
Quantitative Estimate Of Drug Likeness（Qed）
0.069