Glycoside
...
GD024242

Name:
None

Formula:
C25H29O4N6ClS

Smiles:
C[C@]1(O)[C@H](O)[C@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21

Aglycone:
COC(=S)NCc1ccccc1.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.5
AlogP: 2.93 Num_rotatable_bonds: 7
MolWt: 533.05 Num_heavy_atoms: 36
TPSA: 126.58 NumAromaticRings: 3

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
AD02947
Formula: C9H11ONS

Smiles:
COC(=S)NCc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 181.26 Num_heavy_atoms: 12
TPSA: 21.26 NumAromaticRings: 1

Sugarmoiety
SD00027

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