Glycoside
...
GD013003

Name:
None

Formula:
C27H30O4N4

Smiles:
N#Cc1ccccc1N1CC2C(CNC(=O)[C@H](O)[C@H](O)C(=O)N3CCC[C@H]3c3ccccc3)C2C1

Aglycone:
N#Cc1ccccc1N1CC2C(CN)C2C1.c1ccc(C2CCCN2)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.44
AlogP: 1.44 Num_rotatable_bonds: 7
MolWt: 474.56 Num_heavy_atoms: 35
TPSA: 116.9 NumAromaticRings: 2

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
AD09759
Formula: C13H15N3

Smiles:
N#Cc1ccccc1N1CC2C(CN)C2C1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.46
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 213.28 Num_heavy_atoms: 16
TPSA: 53.05 NumAromaticRings: 1

Sugarmoiety
SD00169

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