Glycoside
...
GD006640

Name:
None

Formula:
C23H26O4N6S

Smiles:
CNc1nc([C@@H]2C=CCN2C(=O)[C@H](O)[C@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.CNc1nc(C2C=CCN2)cs1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.3
AlogP: 1.41 Num_rotatable_bonds: 8
MolWt: 482.57 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
AD05477
Formula: C8H11N3S

Smiles:
CNc1nc(C2C=CCN2)cs1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 1.39 Num_rotatable_bonds: 2
MolWt: 181.26 Num_heavy_atoms: 12
TPSA: 36.95 NumAromaticRings: 1

Sugarmoiety
SD00169

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