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
- 36974
- Core Entity Id
- 44298
- Source Entity Count
- 1
- Preferred Name
- Yemuoside ym7
- Name En
- Pubchem Id
- 177826031
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(=C)CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)OC1C(C(C(CO1)O)O)O)O)C)O)O)O)CO)O)O)O
- Molecular Formula
- C57H90O25
- Molecular Weight
- 1174.5800
- Inchikey
- VODBEOZFVMLQHK-CIUGOAKQSA-N
- Inchi
- InChI=1S/C57H90O25/c1-23-10-15-57(52(72)82-51-42(69)38(65)36(63)30(78-51)22-75-47-43(70)39(66)46(29(19-58)77-47)81-50-41(68)37(64)34(61)24(2)76-50)17-16-55(6)25(26(57)18-23)8-9-32-54(5)13-12-33(53(3,4)31(54)11-14-56(32,55)7)79-49-44(71)45(28(60)21-74-49)80-48-40(67)35(62)27(59)20-73-48/h8,24,26-51,58-71H,1,9-22H2,2-7H3/t24-,26-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45-,46+,47+,48-,49-,50-,51-,54-,55+,56+,57-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.4000
- Num H Donors
- 14
- Num H Acceptors
- 25
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 393.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yemuoside Ym7
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Yemuoside YM7
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Yemuoside Ym7
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Yemuoside ym7
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Yemuoside ym7
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
yemuoside ym7
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048607
Tcmid
22871
Sym Map
SMIT27496
Tcmbank
TCMBANKIN045115
Etcm Ingredient
Yemuoside YM7
Itcmdb Generated
ITX-INGREDIENT-46B4919A0BA6ITX-INGREDIENT-F2F228AC09C5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/22887.mol2
Reference
660
Molecular Weight
1174.580
Molecular Formula
C57H90O25
Molecular Formula
C57H90O25
Molecular Formula
C57H90O25
Fda Maximum Daily Dose (Fdamdd)
0.855
Quantitative Estimate Of Drug Likeness（Qed）
0.055