Glycoside
...
GD019242

Name:
None

Formula:
C22H25O4N5S

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1nccs1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.c1csc(C2CCCN2)n1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.36
AlogP: 1.59 Num_rotatable_bonds: 7
MolWt: 455.54 Num_heavy_atoms: 32
TPSA: 120.58 NumAromaticRings: 3

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
AD07819
Formula: C7H10N2S

Smiles:
c1csc(C2CCCN2)n1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 1.57 Num_rotatable_bonds: 1
MolWt: 154.24 Num_heavy_atoms: 10
TPSA: 24.92 NumAromaticRings: 1

Sugarmoiety
SD00169

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