Glycoside
...
GD158087

Name:
N-(2-{[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(pyridin-2-yl)amino]oxan-3-yl]oxy}-5-({4-[(3-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-{[(3-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxyoxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

Formula:
C67H108O45N6

Smiles:
CC(O)=NC1C(Nc2ccccn2)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4N=C(C)O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4N=C(C)O)C3O)C(O)C2N=C(C)O)C1O

Aglycone:
CC(O)=NC1C(Nc2ccccn2)OC(CO)C(O)C1O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)C1O

Other Identifiers

Properties
HBA: 51 RingCount: 10
HBD: 29 FractionCSP3: 0.87
AlogP: -15.18 Num_rotatable_bonds: 31
MolWt: 1717.6 Num_heavy_atoms: 118
TPSA: 797.71 NumAromaticRings: 1

Unique Aglycone
AD62426
Formula: C13H19O5N3

Smiles:
CC(O)=NC1C(Nc2ccccn2)OC(CO)C(O)C1O
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.54
AlogP: -0.72 Num_rotatable_bonds: 4
MolWt: 297.31 Num_heavy_atoms: 21
TPSA: 127.43 NumAromaticRings: 1

Sugarmoiety
SD10655

CC(O)=NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)C1O