Glycoside
...
GD026630

Name:
None

Formula:
C26H32O4N6S

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1csc(NC2CCC2)n1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.c1sc(NC2CCC2)nc1C1CCCN1

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.46
AlogP: 2.56 Num_rotatable_bonds: 9
MolWt: 524.65 Num_heavy_atoms: 37
TPSA: 132.61 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
AD17544
Formula: C11H17N3S

Smiles:
c1sc(NC2CCC2)nc1C1CCCN1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.73
AlogP: 2.53 Num_rotatable_bonds: 3
MolWt: 223.34 Num_heavy_atoms: 15
TPSA: 36.95 NumAromaticRings: 1

Sugarmoiety
SD00169

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