Glycoside
...
GD002800

Name:
None

Formula:
C27H29O4N7S

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1csc(Nc2cccnc2)n1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.c1cncc(Nc2nc(C3CCCN3)cs2)c1

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.3
AlogP: 2.73 Num_rotatable_bonds: 9
MolWt: 547.64 Num_heavy_atoms: 39
TPSA: 145.5 NumAromaticRings: 4

Unique Aglycone
AD01153
Formula: C11H13N3

Smiles:
CC(N)c1ccc(-n2cccn2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.89 Num_rotatable_bonds: 2
MolWt: 187.25 Num_heavy_atoms: 14
TPSA: 43.84 NumAromaticRings: 2
AD02632
Formula: C12H14N4S

Smiles:
c1cncc(Nc2nc(C3CCCN3)cs2)c1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: 2.71 Num_rotatable_bonds: 3
MolWt: 246.34 Num_heavy_atoms: 17
TPSA: 49.84 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O