Glycoside
...
GD007638

Name:
None

Formula:
C23H27O4N5S

Smiles:
Cc1nc([C@@H]2CCCN2C(=O)[C@H](O)[C@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.Cc1nc(C2CCCN2)cs1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.39
AlogP: 1.9 Num_rotatable_bonds: 7
MolWt: 469.57 Num_heavy_atoms: 33
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
AD06196
Formula: C8H12N2S

Smiles:
Cc1nc(C2CCCN2)cs1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.62
AlogP: 1.88 Num_rotatable_bonds: 1
MolWt: 168.27 Num_heavy_atoms: 11
TPSA: 24.92 NumAromaticRings: 1

Sugarmoiety
SD00169

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