CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)Cl)COC(=O)C)OCC=C)OC(=O)C)OC(=O)C
名称: [(2R,3S,4S,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-chlorooxan-3-yl]oxy-5-prop-2-enoxyoxan-2-yl]methyl acetate
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)Cl)COC(=O)C)OCC=C)OC(=O)C)OC(=O)C

Molecular Processing

Molecular formula
C27H37ClO16
Molecular weight
653.03
Exact mass
652.177
XLogP
0.48
TPSA
194.72
H-bond donors
0
H-bond acceptors
16
Rotatable bonds
13
Heavy atoms
44
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
10
Undefined stereo
10
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.704
Molar refractivity
143.47

Supplementary Information

InChIKey: HPRDIWYVUNWKBY-JIAHTRGHSA-N
同義語
HPRDIWYVUNWKBY-JIAHTRGHSA-N2,3,6-Tri-O-acetyl-4-O-(3,4,6-tri-O-acetyl-2-O-allyl-beta-D-galactopyranosyl)-alpha-D-glucopyranosyl choride
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