IngredientID 42449
(24S)-3Β,11Α,16Β,24-Tetrahydroxycycloartane-3-O-[Β-D-Glucopyranosyl(1→3)-Β-D-Glucopyra-Nosyl(1→2)-Β-D-Glucopyranosyl]-24-O-Β-D-Glucopyranoside
C54H92O24
Relationship Network
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Herb: 1Ingredient: 1Target: 2Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 42449
- Core Entity Id
- 85460
- Source Entity Count
- 1
- Preferred Name
- (24S)-3Β,11Α,16Β,24-Tetrahydroxycycloartane-3-O-[Β-D-Glucopyranosyl(1→3)-Β-D-Glucopyra-Nosyl(1→2)-Β-D-Glucopyranosyl]-24-O-Β-D-Glucopyranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C54H92O24
- Molecular Weight
- 1124.6000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(24S)-3Β,11Α,16Β,24-Tetrahydroxycycloartane-3-O-[Β-D-Glucopyranosyl(1→3)-Β-D-Glucopyra-Nosyl(1→2)-Β-D-Glucopyranosyl]-24-O-Β-D-Glucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(24S)-3β,11α,16β,24-Tetrahydroxycycloartane-3-O-[β-D-glucopyranosyl( 1→3)-β-D-glucopyranosyl(1→2)-β-D-glucopyranosyl]-24-O-β-D-g lucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(24s)-3β,11α,16β,24-tetrahydroxycycloartane-3-o-[β-d-glucopyranosyl(1→3)-β-d-glucopyra-nosyl(1→2)-β-d-glucopyranosyl]-24-o-β-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(24S)-3β,11α,16β,24-Tetrahydroxycycloartane-3-O-[β-D-glucopyranosyl( 1→3)-β-D-glucopyranosyl(1→2)-β-D-glucopyranosyl]-24-O-β-D-g lucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN008010TCMBANKIN021273
Etcm Ingredient
(24S)-3β,11α,16β,24-Tetrahydroxycycloartane-3-O-[β-D-glucopyranosyl( 1→3)-β-D-glucopyranosyl(1→2)-β-D-glucopyranosyl]-24-O-β-D-g lucopyranoside
Itcmdb Generated
ITX-INGREDIENT-5A0B5673A635ITX-INGREDIENT-FF903B19CC05
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
仙茅
Tcm Name2
XIAN MAO
Mol2 Path
/TCM_database/2007_3d_all/21087.mol2
Reference
2485
Tcm Name En
Common Cruculigo
Molecular Weight
1124.600
Molecular Formula
C54H92O24
Fda Maximum Daily Dose (Fdamdd)
0.051
Quantitative Estimate Of Drug Likeness（Qed）
0.063