Glycoside
...
GD028257

Name:
None

Formula:
C21H29O5N6Cl

Smiles:
CCCNC(=O)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCCNC(=O)OC.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.7
AlogP: 1.98 Num_rotatable_bonds: 7
MolWt: 468.94 Num_heavy_atoms: 32
TPSA: 143.65 NumAromaticRings: 2

Unique Aglycone
AD00055
Formula: C11H11N5Cl

Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 2.39 Num_rotatable_bonds: 2
MolWt: 236.69 Num_heavy_atoms: 16
TPSA: 64.27 NumAromaticRings: 1
AD11282
Formula: C5H11O2N

Smiles:
CCCNC(=O)OC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 0.75 Num_rotatable_bonds: 2
MolWt: 117.15 Num_heavy_atoms: 8
TPSA: 38.33 NumAromaticRings: 0

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O