Glycoside
...
GD127927

Name:
N-[4-({5-[(4-{[3,5-bis({[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy})-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-1,3,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexan-2-yl]acetamide

Formula:
C76H129O55N5

Smiles:
CC(O)=NC(CO)C(O)C(OC1OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4N=C(C)O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C2O)C(O)C1N=C(C)O)C(O)COC1OC(C)C(O)C(O)C1O

Aglycone:
CC(O)=NCCO

Sugarmoiety:
CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC(C(O)O)C(O)COC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5N=C(C)O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 60 RingCount: 10
HBD: 35 FractionCSP3: 0.93
AlogP: -19.4 Num_rotatable_bonds: 39
MolWt: 1992.85 Num_heavy_atoms: 136
TPSA: 954.45 NumAromaticRings: 0

Unique Aglycone
AD45321
Formula: C4H9O2N

Smiles:
CC(O)=NCCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: -0.04 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 52.82 NumAromaticRings: 0

Sugarmoiety
SD06852

CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC(C(O)O)C(O)COC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5N=C(C)O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O