Glycoside
...
GD100374

Name:
None

Formula:
C19H27O9N4

Smiles:
CNc1cc[nH+]c(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)n1

Aglycone:
CNc1cc[nH+]c(N)n1.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 3 FractionCSP3: 0.58
AlogP: -0.57 Num_rotatable_bonds: 8
MolWt: 455.44 Num_heavy_atoms: 32
TPSA: 165.52 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
AD42411
Formula: C5H9N4

Smiles:
CNc1cc[nH+]c(N)n1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.2
AlogP: -0.48 Num_rotatable_bonds: 1
MolWt: 125.16 Num_heavy_atoms: 9
TPSA: 65.08 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O