Glycoside
...
GD033071

Name:
None

Formula:
C28H29O5N2ClS

Smiles:
COc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)s1

Aglycone:
COc1ccccc1Cc1ccc(CN)s1.Clc1cccc(C2CCCN2)c1

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

Other Identifiers

Properties
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.33
AlogP: 3.7 Num_rotatable_bonds: 9
MolWt: 529.06 Num_heavy_atoms: 36
TPSA: 99.1 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
AD21136
Formula: C13H15ONS

Smiles:
COc1ccccc1Cc1ccc(CN)s1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 2.81 Num_rotatable_bonds: 4
MolWt: 233.34 Num_heavy_atoms: 16
TPSA: 35.25 NumAromaticRings: 2

Sugarmoiety
SD00169

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