Glycoside
...
GD015890

Name:
None

Formula:
C23H28O4N6S

Smiles:
CNc1nc([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.CNc1nc(C2CCCN2)cs1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.39
AlogP: 1.63 Num_rotatable_bonds: 8
MolWt: 484.58 Num_heavy_atoms: 34
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
AD11494
Formula: C8H13N3S

Smiles:
CNc1nc(C2CCCN2)cs1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.62
AlogP: 1.61 Num_rotatable_bonds: 2
MolWt: 183.28 Num_heavy_atoms: 12
TPSA: 36.95 NumAromaticRings: 1

Sugarmoiety
SD00169

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