Glycoside
...
GD103419

Name:
None

Formula:
C21H28O7N6Cl

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCC[C@@H](C)[NH3+])nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC([NH3+])CCNc1nc(Cl)nc2c1N=C[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.6
AlogP: 0.24 Num_rotatable_bonds: 9
MolWt: 499.93 Num_heavy_atoms: 34
TPSA: 171.4 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
AD43777
Formula: C10H13N6Cl

Smiles:
CC([NH3+])CCNc1nc(Cl)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.44
AlogP: 0.47 Num_rotatable_bonds: 4
MolWt: 240.7 Num_heavy_atoms: 16
TPSA: 91.91 NumAromaticRings: 1

Sugarmoiety
SD00105

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