Glycoside
...
GD019262

Name:
None

Formula:
C26H27O5N4Cl

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1C[C@H](O)CC1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.OC1CNC(c2cccc(Cl)c2)C1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.32
AlogP: 1.76 Num_rotatable_bonds: 7
MolWt: 498.97 Num_heavy_atoms: 35
TPSA: 127.92 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
AD13469
Formula: C11H12ONCl

Smiles:
OC1CNC(c2cccc(Cl)c2)C1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 1.74 Num_rotatable_bonds: 1
MolWt: 197.66 Num_heavy_atoms: 13
TPSA: 32.26 NumAromaticRings: 1

Sugarmoiety
SD00169

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