ITCMDBv1
IngredientID 4832

3-o-alpha-l-arabinopyranosylcimigenol 15-o-beta-d-glucopyranoside

C41H66O14

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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
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
4832
Core Entity Id
8562
Source Entity Count
1
Preferred Name
3-o-alpha-l-arabinopyranosylcimigenol 15-o-beta-d-glucopyranoside
Name En
Pubchem Id
Smiles Canonical
C[C@@H]1C[C@@H]2O[C@@]3(O[C@H]2C(C)(C)O)[C@H](O[O][K])[C@@]2(C)[C@@H]4CC[C@@H]5C(C)(C)[C@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]56C[C@]46CC[C@@]2(C)[C@@H]13
Molecular Formula
C41H66O14
Molecular Weight
675.0000
Inchikey
Inchi
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
3.0000
Num H Donors
4
Num H Acceptors
10
Num Rotatable Bonds
5
Drug Likeness
Polar Surface Area
136.0000
Molecular Volume
497.0000
Alogp
3.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
3-O-alpha-L-arabinopyranosyl cimigenol 15-O-beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-O-alpha-L-arabinopyranosyl cimigenol 15-O-beta-D-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-o-alpha-l-arabinopyranosylcimigenol 15-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-o-alpha-l-arabinopyranosylcimigenol 15-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
升麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Cimicifuga dahurica
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Rhizoma Cimicifugae
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.发散风热药(12-12)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-heat dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

3-O-alpha-L-arabinopyranosyl cimigenol 15-O-beta-D-glucopyranoside升麻Cimicifuga dahuricaRhizoma Cimicifugae1.解表药(28-28)exterior-releasing medicinal2.发散风热药(12-12)wind-heat dispersing

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN009070
Tcmid
1561
Tcmbank
TCMBANKIN035080
Etcm Ingredient
3-O-alpha-L-arabinopyranosyl cimigenol 15-O-beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-5EE70DFB2F31ITX-INGREDIENT-BA493177D7E8

Attributes

Merged source attributes and domain-specific metadata.

Alog P
3
Smiles
C1([H])([H])C([H])([H])[C@@]2([C@@](C2([H])[H])(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]3([H])[C@@]4(O[C@]([H])([C@](O4)([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]3([H])C([H])( [H])[H])[C@]5([H])OO[K])[C@@]56C([H])([H])[H])[C@@]6([H])C([H])([H])C7([H])[H])[C@@]7([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@@]8([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]8([H])O [H]
37 Flag
37
C Count
35
N Count
0
O Count
10
P Count
0
S Count
0
Tcm Name
升麻
Tcm Name2
Cimicifuga dahurica
Mol2 Path
/TCM_database/1.解表药(28-28)/2.发散风热药(12-12)/升麻/Cimicifuga dahurica/structure/3-O-alpha-L-arabinopyranosyl cimigenol 15-O-beta-D-glucopyranoside.mol2
Tcm Name En
Rhizoma Cimicifugae
Level1 Name
1.解表药(28-28)
Level2 Name
2.发散风热药(12-12)
Num H Donors
4
Level1 Name En
exterior-releasing medicinal
Level2 Name En
wind-heat dispersing
Num H Acceptors
10
Molecular Weight
674.340
Molecular Volume
497
Molecular Weight
675
Molecular Formula
C35H55KO10
Molecular Formula
C35H55KO10
Molecular Formula
C41H66O14
Num Rotatable Bonds
5
Molecular Polar Surface Area
136
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.206