이름: epothilone B
SMILES:
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1Molecular Processing
Molecular formula
C27H41NO6S
Molecular weight
507.69
Exact mass
507.2655
XLogP
4.48
TPSA
109.25
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
135.87
Supplementary Information
상세 정보 불러오는 중…
24개 반응에 참여→