Glycoside
...
GD019141

Name:
None

Formula:
C28H31O4N4Cl

Smiles:
N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)CC1

Aglycone:
Clc1cccc(C2CCCN2)c1.N#Cc1ccccc1N1CCC(CN)CC1

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.44
AlogP: 2.63 Num_rotatable_bonds: 7
MolWt: 511.02 Num_heavy_atoms: 36
TPSA: 116.9 NumAromaticRings: 2

Unique Aglycone
AD04593
Formula: C11H12NCl

Smiles:
Clc1cccc(C2CCCN2)c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.4
AlogP: 2.76 Num_rotatable_bonds: 1
MolWt: 181.67 Num_heavy_atoms: 12
TPSA: 12.03 NumAromaticRings: 1
AD13399
Formula: C13H17N3

Smiles:
N#Cc1ccccc1N1CCC(CN)CC1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.46
AlogP: 1.73 Num_rotatable_bonds: 2
MolWt: 215.3 Num_heavy_atoms: 16
TPSA: 53.05 NumAromaticRings: 1

Sugarmoiety
SD00169

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