Glycoside
...
GD016242

Name:
None

Formula:
C25H28O4N6S2

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCC[C@H]2c2csc(N)n2)s1

Aglycone:
Cc1nc2ccccc2n1Cc1ccc(CN)s1.Nc1nc(C2CCCN2)cs1

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 5 FractionCSP3: 0.36
AlogP: 2.19 Num_rotatable_bonds: 8
MolWt: 540.67 Num_heavy_atoms: 37
TPSA: 146.6 NumAromaticRings: 4

Unique Aglycone
AD01154
Formula: C7H11N3S

Smiles:
Nc1nc(C2CCCN2)cs1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.57
AlogP: 1.15 Num_rotatable_bonds: 1
MolWt: 169.25 Num_heavy_atoms: 11
TPSA: 50.94 NumAromaticRings: 1
AD07818
Formula: C14H15N3S

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CN)s1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 2.91 Num_rotatable_bonds: 3
MolWt: 257.36 Num_heavy_atoms: 18
TPSA: 43.84 NumAromaticRings: 3

Sugarmoiety
SD00169

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