Glycoside
...
GD024131

Name:
None

Formula:
C26H25O4N3S

Smiles:
N#Cc1sccc1-c1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCC[C@H]2c2ccccc2)cc1

Aglycone:
N#Cc1sccc1-c1ccc(CN)cc1.c1ccc(C2CCCN2)cc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.27
AlogP: 2.99 Num_rotatable_bonds: 7
MolWt: 475.57 Num_heavy_atoms: 34
TPSA: 113.66 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
AD16145
Formula: C12H10N2S

Smiles:
N#Cc1sccc1-c1ccc(CN)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.75 Num_rotatable_bonds: 2
MolWt: 214.29 Num_heavy_atoms: 15
TPSA: 49.81 NumAromaticRings: 2

Sugarmoiety
SD00169

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