General
Preferred name
Siamenoside I
Synonyms
P&D ID
PD100406
CAS
126105-12-2
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
1124.6
Hydrogen Bond Acceptors
24
Hydrogen Bond Donors
16
Rotatable Bonds
17
Ring Count
8
Aromatic Ring Count
0
cLogP
-3.23
TPSA
397.52
Fraction CSP3
0.96
Chiral centers
30.0
Largest ring
6.0
QED
0.06
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data