Glycoside
...
GD098926

Name:
None

Formula:
C21H27O7N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4C[C@@H]5C[NH2+][C@@H]5C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
C1=Nc2c(ncnc2N2CC3C[NH2+]C3C2)[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 2 FractionCSP3: 0.62
AlogP: -1.47 Num_rotatable_bonds: 6
MolWt: 475.48 Num_heavy_atoms: 34
TPSA: 151.58 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
AD42091
Formula: C10H12N6

Smiles:
C1=Nc2c(ncnc2N2CC3C[NH2+]C3C2)[N]1
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.5
AlogP: -1.23 Num_rotatable_bonds: 1
MolWt: 216.25 Num_heavy_atoms: 16
TPSA: 72.09 NumAromaticRings: 1

Sugarmoiety
SD00105

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