Glycoside
...
GD135947

Name:
2-{[6-({6-[(2-{[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-acetamido-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]methyl}-3,5-dihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl)oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:
C63H105O47N3

Smiles:
CC(O)=NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O

Aglycone:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1

Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 50 RingCount: 9
HBD: 29 FractionCSP3: 0.94
AlogP: -16.41 Num_rotatable_bonds: 29
MolWt: 1656.51 Num_heavy_atoms: 113
TPSA: 797.73 NumAromaticRings: 0

Unique Aglycone
AD46866
Formula: C12H21O9N

Smiles:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.83
AlogP: -2.38 Num_rotatable_bonds: 6
MolWt: 323.3 Num_heavy_atoms: 22
TPSA: 169.27 NumAromaticRings: 0

Sugarmoiety
SD07989

CC(O)=NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O