Glycoside
...
GD019140

Name:
None

Formula:
C28H27O4N3

Smiles:
N#Cc1ccccc1-c1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCC[C@H]2c2ccccc2)cc1

Aglycone:
N#Cc1ccccc1-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: 0.25
AlogP: 2.93 Num_rotatable_bonds: 7
MolWt: 469.54 Num_heavy_atoms: 35
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
AD13398
Formula: C14H12N2

Smiles:
N#Cc1ccccc1-c1ccc(CN)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.68 Num_rotatable_bonds: 2
MolWt: 208.26 Num_heavy_atoms: 16
TPSA: 49.81 NumAromaticRings: 2

Sugarmoiety
SD00169

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