Glycoside
...
GD150729

Name:
[4,6-bis(acetyloxy)-3-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-5-acetamidooxan-2-yl]methyl acetate

Formula:
C40H55O26N

Smiles:
CC(=O)OCC1OC(OC(C)=O)C(N=C(C)O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

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

Sugarmoiety:
CC(=O)OCC1OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3OC(N=C(C)O)OOC3O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 27 RingCount: 3
HBD: 1 FractionCSP3: 0.72
AlogP: -0.88 Num_rotatable_bonds: 18
MolWt: 965.86 Num_heavy_atoms: 67
TPSA: 341.74 NumAromaticRings: 0

Unique Aglycone
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

Sugarmoiety
SD09828

CC(=O)OCC1OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3OC(N=C(C)O)OOC3O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O