Glycoside
...
GD093864

Name:
None

Formula:
C18H23O9N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(-n3cnc(C[NH3+])n3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]Cc1ncn(-c2c[nH]c(=O)[nH]c2=O)n1

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -2.82 Num_rotatable_bonds: 7
MolWt: 467.42 Num_heavy_atoms: 33
TPSA: 201.34 NumAromaticRings: 2

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
AD40466
Formula: C7H9O2N6

Smiles:
[NH3+]Cc1ncn(-c2c[nH]c(=O)[nH]c2=O)n1
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.14
AlogP: -2.61 Num_rotatable_bonds: 2
MolWt: 209.19 Num_heavy_atoms: 15
TPSA: 124.07 NumAromaticRings: 2

Sugarmoiety
SD00105

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