Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29474
- Core Entity Id
- 35945
- Source Entity Count
- 1
- Preferred Name
- Periplogenin-3-o-alpha-l-rhamnopyranoside
- Name En
- Pubchem Id
- 162971181
- Smiles Canonical
- C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
- Molecular Formula
- C29H44O9
- Molecular Weight
- 536.7300
- Inchikey
- RAWRNCRYFFPACC-ORSXKMCESA-N
- Inchi
- InChI=1S/C29H44O9/c1-15-22(31)23(32)24(33)25(37-15)38-17-4-8-26(2)19-5-9-27(3)18(16-12-21(30)36-14-16)7-11-29(27,35)20(19)6-10-28(26,34)13-17/h12,15,17-20,22-25,31-35H,4-11,13-14H2,1-3H3/t15-,17-,18-,19-,20+,22-,23+,24+,25-,26+,27+,28-,29-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 13.5310
- Mol Logp
- 1.5710
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 146.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Periplogenin-3-O-Alpha-L-Rhamnopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Periplogenin-3-O-alpha-L-rhamnopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Periplogenin-3-O-alpha-L-rhamnopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Periplogenin-3-o-alpha-l-rhamnopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Periplogenin-3-o-alpha-l-rhamnopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
periplogenin-3-o-alpha-l-rhamnopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
periplogenin-3-o-α-l-rhamnopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
periplogenin-3-o-α-l-rhamnopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
periplogenin-3-o-α-l-rhamnopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
periplogenin-3-o-α-l-rhamnopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039284
Tcmid
1694731771
Tcmsp
MOL005659
Sym Map
SMIT07384
Tcmbank
TCMBANKIN042205
Etcm Ingredient
Periplogenin-3-O-alpha-L-rhamnopyranoside
Itcmdb Generated
ITX-INGREDIENT-71E365DADF14
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
[C@@]1([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])(C3=C([H])C(=O)OC3([H])[H])C
([H])([H])C4([H])[H])[C@]45O[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6(O[H])C2([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
Version
v1,v2
Ob Score
13.53113.5313148713.531315
Suppress
0
Tcm Name
铃兰
Tcm Name2
LING LAN
Mol2 Path
/TCM_database/2003_3d_all/6720.mol2
Reference
6
Tcm Name En
Lily of Valley
Molecule Weight
536.73
Herb Alias Names
periplogenin-3-o-α-l-rhamnopyranoside
Molecular Weight
536.300
Molecular Weight
536.73
Molecular Formula
C29H44O9
Molecular Formula
C29H44O9
Fda Maximum Daily Dose (Fdamdd)
0.954
Quantitative Estimate Of Drug Likeness（Qed）
0.320