Glycoside
...
GD019131

Name:
None

Formula:
C26H26O4N4S

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2Cc3ccccc3C2)s1

Aglycone:
Cc1nc2ccccc2n1Cc1ccc(CN)s1.c1ccc2c(c1)CNC2

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.27
AlogP: 2.33 Num_rotatable_bonds: 7
MolWt: 490.59 Num_heavy_atoms: 35
TPSA: 107.69 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
AD09907
Formula: C8H9N

Smiles:
c1ccc2c(c1)CNC2
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 1.29 Num_rotatable_bonds: 0
MolWt: 119.17 Num_heavy_atoms: 9
TPSA: 12.03 NumAromaticRings: 1

Sugarmoiety
SD00169

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