Glycoside
...
GD010106

Name:
None

Formula:
C23H28O4N6

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1ccn(C)n1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.Cn1ccc(C2CCCN2)n1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.39
AlogP: 0.87 Num_rotatable_bonds: 7
MolWt: 452.52 Num_heavy_atoms: 33
TPSA: 125.51 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
AD07849
Formula: C8H13N3

Smiles:
Cn1ccc(C2CCCN2)n1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.62
AlogP: 0.84 Num_rotatable_bonds: 1
MolWt: 151.21 Num_heavy_atoms: 11
TPSA: 29.85 NumAromaticRings: 1

Sugarmoiety
SD00169

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