Glycoside
...
GD010067

Name:
None

Formula:
C25H27O4N5S2

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCCC2c2nccs2)s1

Aglycone:
Cc1nc2ccccc2n1Cc1ccc(CN)s1.c1csc(C2CCCN2)n1

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

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.36
AlogP: 2.61 Num_rotatable_bonds: 8
MolWt: 525.66 Num_heavy_atoms: 36
TPSA: 120.58 NumAromaticRings: 4

Unique Aglycone
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
AD07819
Formula: C7H10N2S

Smiles:
c1csc(C2CCCN2)n1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 1.57 Num_rotatable_bonds: 1
MolWt: 154.24 Num_heavy_atoms: 10
TPSA: 24.92 NumAromaticRings: 1

Sugarmoiety
SD00169

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