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
- 21290
- Core Entity Id
- 26851
- Source Entity Count
- 1
- Preferred Name
- Heracleifolinoside f
- Name En
- Pubchem Id
- 177826659
- Smiles Canonical
- CC1CC(OC2(C1C3(CCC45CC46CCC(C(C6CC=C5C3(C2OC7C(C(C(C(O7)CO)O)O)O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O)C(C(C)(C)O)OC(=O)C
- Molecular Formula
- C41H64O15
- Molecular Weight
- 797.0500
- Inchikey
- RBUZWPNVGWCJLM-GKSMPWCOSA-N
- Inchi
- InChI=1S/C43H68O16/c1-19-15-22(33(38(5,6)52)55-20(2)45)59-43(53)32(19)39(7)13-14-42-18-41(42)12-11-26(57-34-30(50)27(47)21(46)17-54-34)37(3,4)24(41)9-10-25(42)40(39,8)36(43)58-35-31(51)29(49)28(48)23(16-44)56-35/h10,19,21-24,26-36,44,46-53H,9,11-18H2,1-8H3/t19-,21-,22-,23-,24+,26+,27+,28-,29+,30-,31-,32-,33-,34+,35+,36-,39-,40-,41-,42+,43-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 47.9810
- Mol Logp
- 0.9000
- Num H Donors
- 9
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 255.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heracleifolinoside F
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Heracleifolinoside F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Heracleifolinoside F
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Heracleifolinoside F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Heracleifolinoside f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Heracleifolinoside f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029129
Tcmsp
MOL012038
Sym Map
SMIT12852
Tcmbank
TCMBANKIN011334
Etcm Ingredient
Heracleifolinoside F
Itcmdb Generated
ITX-INGREDIENT-51E6428AABC7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
47.98147.9810778847.981078
Suppress
0
Molecule Weight
797.05
Molecular Weight
796.420
Molecular Weight
797.05
Molecular Formula
C41H64O15
Fda Maximum Daily Dose (Fdamdd)
0.943
Quantitative Estimate Of Drug Likeness（Qed）
0.131