Glycoside
...
GD013051

Name:
None

Formula:
C29H29O4N4ClS

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCC[C@H]2c2cccc(Cl)c2)s1

Aglycone:
Cc1nc2ccccc2n1Cc1ccc(CN)s1.Clc1cccc(C2CCCN2)c1

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.32
AlogP: 3.81 Num_rotatable_bonds: 8
MolWt: 553.08 Num_heavy_atoms: 38
TPSA: 107.69 NumAromaticRings: 4

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
AD07818
Formula: C14H15N3S

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CN)s1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 2.91 Num_rotatable_bonds: 3
MolWt: 257.36 Num_heavy_atoms: 18
TPSA: 43.84 NumAromaticRings: 3

Sugarmoiety
SD00169

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