Glycoside
...
GD122969

Name:
2-(benzyloxy)-6-({[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}methyl)-3-acetamido-5-hydroxyoxan-4-yl benzoate

Formula:
C36H44O15N2

Smiles:
CC(=O)OCC1OC(OCC2OC(OCc3ccccc3)C(N=C(C)O)C(OC(=O)c3ccccc3)C2O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=C(O)c1ccccc1.OCc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(OCC2OC(O)C(N=C(C)O)C(O)C2O)C(N=C(C)O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 3 FractionCSP3: 0.5
AlogP: 2.37 Num_rotatable_bonds: 14
MolWt: 744.75 Num_heavy_atoms: 53
TPSA: 227.53 NumAromaticRings: 2

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD06069

CC(=O)OC1C(O)OC(OCC2OC(O)C(N=C(C)O)C(O)C2O)C(N=C(C)O)C1OC(C)=O