Glycoside
...
GD007108

Name:
None

Formula:
C29H31O4N6FS

Smiles:
CNc1nc([C@@H]2CCCN2C(=O)[C@H](O)[C@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(-c2ccc(F)cc2)s1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.CNc1nc(C2CCCN2)c(-c2ccc(F)cc2)s1

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.31
AlogP: 3.44 Num_rotatable_bonds: 9
MolWt: 578.67 Num_heavy_atoms: 41
TPSA: 132.61 NumAromaticRings: 4

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
AD05810
Formula: C14H16N3FS

Smiles:
CNc1nc(C2CCCN2)c(-c2ccc(F)cc2)s1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.36
AlogP: 3.42 Num_rotatable_bonds: 3
MolWt: 277.37 Num_heavy_atoms: 19
TPSA: 36.95 NumAromaticRings: 2

Sugarmoiety
SD00169

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