Glycoside
...
GD097606

Name:
None

Formula:
C21H28O10N4

Smiles:
CC(=O)N[C@H]1C[C@H](Nc2cn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]c2=O)C1

Aglycone:
CC(=O)NC1CC(Nc2c[nH]c(=O)[nH]c2=O)C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.62
AlogP: -1.06 Num_rotatable_bonds: 8
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 184.12 NumAromaticRings: 1

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
AD41544
Formula: C10H14O3N4

Smiles:
CC(=O)NC1CC(Nc2c[nH]c(=O)[nH]c2=O)C1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.5
AlogP: -0.86 Num_rotatable_bonds: 3
MolWt: 238.25 Num_heavy_atoms: 17
TPSA: 106.85 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O