Glycoside
...
GD095395

Name:
None

Formula:
C19H26O10N4

Smiles:
CC(=O)NCCNc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:
CC(=O)NCCNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 3 FractionCSP3: 0.58
AlogP: -1.59 Num_rotatable_bonds: 9
MolWt: 470.44 Num_heavy_atoms: 33
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
AD40718
Formula: C8H12O3N4

Smiles:
CC(=O)NCCNc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 1
HBD: 4 FractionCSP3: 0.38
AlogP: -1.39 Num_rotatable_bonds: 4
MolWt: 212.21 Num_heavy_atoms: 15
TPSA: 106.85 NumAromaticRings: 1

Sugarmoiety
SD00105

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