Glycoside
...
GD016853

Name:
None

Formula:
C27H26O4N3Cl

Smiles:
O=C(NCc1ccc(-c2ccccc2)cn1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1cccc(Cl)c1

Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1ccc(-c2ccccc2)cn1

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

Other Identifiers

Properties
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.27
AlogP: 3.1 Num_rotatable_bonds: 7
MolWt: 479.96 Num_heavy_atoms: 34
TPSA: 102.76 NumAromaticRings: 3

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
AD12082
Formula: C12H12N2

Smiles:
NCc1ccc(-c2ccccc2)cn1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.21 Num_rotatable_bonds: 2
MolWt: 184.24 Num_heavy_atoms: 14
TPSA: 38.91 NumAromaticRings: 2

Sugarmoiety
SD00169

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