Glycoside
...
GD146948

Name:
N-[1-({3-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]butan-2-yl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-4-{[2-({[2-(1-{[2-amino-2-(C-hydroxycarbonimidoyl)ethyl]amino}-2-(C-hydroxycarbonimidoyl)ethyl)-6-imino-1,6-dihydropyrimidin-4-yl](hydroxy)methylidene}amino)-3-[(3-{[3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-hydroxy-2-methylpentanimidic acid

Formula:
C52H76O21N16S2

Smiles:
CC(=O)c1csc(-c2csc(C(C)C(C)N=C(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c3cc(=N)[nH]c(C(CC(=N)O)NCC(N)C(=N)O)n3)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(=N)O)C3O)c3cnc[nH]3)C(C)O)n2)n1

Aglycone:
CC(=O)c1csc(-c2csc(C(C)C(C)N=C(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c3cc(=N)[nH]c(C(CC(=N)O)NCC(N)C(=N)O)n3)C(O)c3cnc[nH]3)C(C)O)n2)n1

Sugarmoiety:
N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 6
HBD: 24 FractionCSP3: 0.6
AlogP: -1.42 Num_rotatable_bonds: 31
MolWt: 1325.41 Num_heavy_atoms: 91
TPSA: 632.7 NumAromaticRings: 4

Unique Aglycone
AD58878
Formula: C39H55O10N15S2

Smiles:
CC(=O)c1csc(-c2csc(C(C)C(C)N=C(O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)c3cc(=N)[nH]c(C(CC(=N)O)NCC(N)C(=N)O)n3)C(O)c3cnc[nH]3)C(C)O)n2)n1
HBA: 25 RingCount: 4
HBD: 17 FractionCSP3: 0.49
AlogP: 2.42 Num_rotatable_bonds: 24
MolWt: 958.1 Num_heavy_atoms: 66
TPSA: 441.32 NumAromaticRings: 4

Sugarmoiety
SD05420

N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O