Glycoside
...
GD014525

Name:
None

Formula:
C20H27O5N6ClS

Smiles:
CCCNC(=S)OC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@@](C)(O)[C@H]1O

Aglycone:
CCCNC(=S)OC.Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.68
AlogP: 0.99 Num_rotatable_bonds: 7
MolWt: 486.98 Num_heavy_atoms: 32
TPSA: 135.81 NumAromaticRings: 2

Unique Aglycone
AD00046
Formula: C10H9ON5Cl

Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.44
AlogP: 1.24 Num_rotatable_bonds: 2
MolWt: 238.66 Num_heavy_atoms: 16
TPSA: 73.5 NumAromaticRings: 1
AD10118
Formula: C5H11ONS

Smiles:
CCCNC(=S)OC
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 0.92 Num_rotatable_bonds: 2
MolWt: 133.22 Num_heavy_atoms: 8
TPSA: 21.26 NumAromaticRings: 0

Sugarmoiety
SD00027

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