이름: (3'R,3aS,4S,4'R,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
SMILES:
CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)NMolecular Processing
Molecular formula
C20H37N3O13
Molecular weight
527.52
Exact mass
527.2326
XLogP
-7.27
TPSA
272.06
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
16
Undefined stereo
16
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
1
Molar refractivity
114.51
Supplementary Information
InChIKey: GRRNUXAQVGOGFE-KPBUCVLVSA-N
동의어
HygrovetineHygrovectineMFCD06795479HYGROMYCIN-Borb93633SCHEMBL3109orb1734998GRRNUXAQVGOGFE-KPBUCVLVSA-NGLXC-25648AKOS026750002NS00011531Q418735(3'R,3aS,4S,4'R,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexoxy]-6'-[(1S)-1-amino-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-tetrahydropyran]-3',4',5',7-tetrolO-6-Amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2- 3)-O-.alpha.-D-talopyranosyl-(1->5)-2-deoxy-N3-
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