Glycoside
...
GD014163

Name:
None

Formula:
C27H30O4N2S

Smiles:
O=C(NCCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1ccccc1

Aglycone:
NCCc1cc(Cc2ccccc2)cs1.c1ccc(C2CCCN2)cc1

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

Other Identifiers

Properties
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.33
AlogP: 3.08 Num_rotatable_bonds: 9
MolWt: 478.61 Num_heavy_atoms: 34
TPSA: 89.87 NumAromaticRings: 3

Unique Aglycone
AD01164
Formula: C10H13N

Smiles:
c1ccc(C2CCCN2)cc1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.4
AlogP: 2.11 Num_rotatable_bonds: 1
MolWt: 147.22 Num_heavy_atoms: 11
TPSA: 12.03 NumAromaticRings: 1
AD10458
Formula: C13H15NS

Smiles:
NCCc1cc(Cc2ccccc2)cs1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 2.84 Num_rotatable_bonds: 4
MolWt: 217.34 Num_heavy_atoms: 15
TPSA: 26.02 NumAromaticRings: 2

Sugarmoiety
SD00169

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