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
- 36968
- Core Entity Id
- 44291
- Source Entity Count
- 1
- Preferred Name
- Yemuoside ym11
- Name En
- Pubchem Id
- 162866927
- Smiles Canonical
- CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)O)C)CC=C5C3(CCC6(C5CC(=C)CC6)C(=O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)C
- Molecular Formula
- C46H72O17
- Molecular Weight
- 896.4800
- Inchikey
- SGIGAPUSJNUQJH-RPPMTMDNSA-N
- Inchi
- InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-40-37(56)34(53)32(51)26(61-40)20-59-38-36(55)33(52)31(50)25(18-47)60-38)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)62-39-35(54)30(49)24(48)19-58-39/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44+,45+,46-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.7000
- Num H Donors
- 10
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 275.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yemuoside Ym11
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Yemuoside YM11
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Yemuoside Ym11
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Yemuoside ym11
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Yemuoside ym11
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
yemuoside ym11
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048601
Tcmid
22874
Sym Map
SMIT27490
Tcmbank
TCMBANKIN042099
Etcm Ingredient
Yemuoside YM11
Itcmdb Generated
ITX-INGREDIENT-B22D79AE5444ITX-INGREDIENT-DD339E6BFA94
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/22890.mol2
Reference
660
Molecular Weight
896.480
Molecular Formula
C46H72O17
Molecular Formula
C46H72O17
Molecular Formula
C46H72O17
Fda Maximum Daily Dose (Fdamdd)
0.916
Quantitative Estimate Of Drug Likeness（Qed）
0.089