Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 49176
- Core Entity Id
- 92187
- Source Entity Count
- 1
- Preferred Name
- Epimedoside B
- Name En
- Pubchem Id
- 74978147
- Smiles Canonical
- COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C)C(OC(C)=O)C(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)C2O)cc1
- Molecular Formula
- C26H30O11
- Molecular Weight
- 500.4900
- Inchikey
- AHIXHBMUHIBLGS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C45H56O23/c1-17(2)8-13-24-26(63-43-35(56)33(54)30(51)27(15-46)64-43)14-25(50)29-32(53)40(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-44-36(57)41(37(18(3)60-44)61-20(5)48)68-45-42(62-21(6)49)34(55)31(52)28(65-45)16-59-19(4)47/h8-12,14,18,27-28,30-31,33-37,41-46,50-52,54-57H,13,15-16H2,1-7H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2000
- Num H Donors
- 8
- Num H Acceptors
- 23
- Num Rotatable Bonds
- 18
- Drug Likeness
- Polar Surface Area
- 332.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epimedoside B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Epimedoside B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epimedoside B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
epimedoside b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025385
Sym Map
SMIT23809
Tcmbank
TCMBANKIN030773TCMBANKIN060157
Etcm Ingredient
Epimedoside B
Itcmdb Generated
ITX-INGREDIENT-3DA5A78BB254ITX-INGREDIENT-565A5613F7B9ITX-INGREDIENT-7502726900B4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)O)O)OC(=O)C)OC(=O)Cc1(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[C@@]([H])(c3c([H])c([H])c(O[H])c([H])c3[H])[C@]([H
])(O[H])C4=O)c4c(O[H])c1[H]
Version
v2
Suppress
0
Tcm Name
淫羊藿
Tcm Name2
YIN YANG HUO
Mol2 Path
/TCM_database/2003_3d_all/2765.mol2
Reference
2, 112
Tcm Name En
Shorthorned Epimedium
Molecular Weight
518.180
Molecular Weight
500.49
Molecular Formula
C26H30O11
Molecular Formula
C26H28O10C26H30O11
Fda Maximum Daily Dose (Fdamdd)
0.034
Quantitative Estimate Of Drug Likeness（Qed）
0.264