Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37982
- Core Entity Id
- 60856
- Source Entity Count
- 1
- Preferred Name
- 12beta-hydroxylcimigenol,3-o-alpha-l-arabinopyranoside
- 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)[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@]46C[C@H](O)[C@@]2(C)[C@@H]13
- Molecular Formula
- C35H56O10
- Molecular Weight
- 637.0000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 31.8897
- Mol Logp
- 1.0000
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 158.0000
- Molecular Volume
- 447.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12Beta-Hydroxylcimigenol,3-O-Alpha-L-Arabinopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
12beta-hydroxylcimigenol 3-O-alpha-L-arabinopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12beta-hydroxylcimigenol 3-O-alpha-L-arabinopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
12beta-hydroxylcimigenol,3-o-alpha-l-arabinopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
12beta-hydroxylcimigenol,3-o-alpha-l-arabinopyranoside
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.
12beta-hydroxylcimigenol 3-O-alpha-L-arabinopyranoside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
HBIN000755
Tcmsp
MOL011985
Sym Map
SMIT12805
Tcmbank
TCMBANKIN012837
Etcm Ingredient
12beta-hydroxylcimigenol 3-O-alpha-L-arabinopyranoside
Itcmdb Generated
ITX-INGREDIENT-CA1DA41A724BITX-INGREDIENT-D23EF1B5ECE7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
1
Smiles
C1([H])([H])C([H])([H])[C@@]2([C@@](C2([H])[H])(C([H])([H])[C@]([H])(O[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])O[H])[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
Version
v1,v2
Ob Score
31.8896681631.89
Suppress
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/12beta-hydroxylcimigenol 3-O-alpha-L-arabinopyranoside.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
6
Level1 Name En
exterior-releasing medicinal
Level2 Name En
wind-heat dispersing
Molecule Weight
636.91
Num H Acceptors
10
Molecular Weight
636.390
Molecular Volume
447
Molecular Weight
637
Molecular Formula
C35H56O10
Molecular Formula
C35H56O10
Num Rotatable Bonds
3
Molecular Polar Surface Area
158
Fda Maximum Daily Dose (Fdamdd)
0.961
Quantitative Estimate Of Drug Likeness（Qed）
0.254