Glycoside
...
GD013395

Name:
None

Formula:
C25H27O4N3S

Smiles:
O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1ccccc1

Aglycone:
NCc1nc(Cc2ccccc2)cs1.c1ccc(C2CCCN2)cc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.32
AlogP: 2.44 Num_rotatable_bonds: 8
MolWt: 465.58 Num_heavy_atoms: 33
TPSA: 102.76 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
AD10000
Formula: C11H12N2S

Smiles:
NCc1nc(Cc2ccccc2)cs1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 2.19 Num_rotatable_bonds: 3
MolWt: 204.3 Num_heavy_atoms: 14
TPSA: 38.91 NumAromaticRings: 2

Sugarmoiety
SD00169

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