Glycoside
...
GD032891

Name:
None

Formula:
C27H29O4N4Cl

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@]1(C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.CC1(c2cccc(Cl)c2)CCCN1

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.35
AlogP: 2.96 Num_rotatable_bonds: 7
MolWt: 497.0 Num_heavy_atoms: 35
TPSA: 107.69 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
AD21037
Formula: C12H14NCl

Smiles:
CC1(c2cccc(Cl)c2)CCCN1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.45
AlogP: 2.94 Num_rotatable_bonds: 1
MolWt: 195.69 Num_heavy_atoms: 13
TPSA: 12.03 NumAromaticRings: 1

Sugarmoiety
SD00169

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