Glycoside
...
GD140002

Name:
None

Formula:
C23H27O6N4ClS

Smiles:
[O][S+](=O)(NCC1OC(CC(=O)N2CCN(c3ccccn3)CC2)C(O)C1O)c1ccc(Cl)cc1

Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN[S+](=O)(O)c1ccc(Cl)cc1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.45
AlogP: 0.67 Num_rotatable_bonds: 7
MolWt: 511.0 Num_heavy_atoms: 34
TPSA: 135.13 NumAromaticRings: 2

Unique Aglycone
AD36294
Formula: C11H15ON3

Smiles:
CC(=O)N1CCN(c2ccccn2)CC1
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.45
AlogP: 0.75 Num_rotatable_bonds: 1
MolWt: 205.26 Num_heavy_atoms: 15
TPSA: 36.44 NumAromaticRings: 1
AD56449
Formula: C8H9O2NClS

Smiles:
CN[S+](=O)(O)c1ccc(Cl)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.81 Num_rotatable_bonds: 2
MolWt: 206.67 Num_heavy_atoms: 12
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O