Glycoside
...
GD012559

Name:
None

Formula:
C27H26O4N4

Smiles:
N#Cc1cnccc1-c1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCC[C@H]2c2ccccc2)cc1

Aglycone:
N#Cc1cnccc1-c1ccc(CN)cc1.c1ccc(C2CCCN2)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.26
AlogP: 2.32 Num_rotatable_bonds: 7
MolWt: 470.53 Num_heavy_atoms: 35
TPSA: 126.55 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
AD09462
Formula: C13H11N3

Smiles:
N#Cc1cnccc1-c1ccc(CN)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.08 Num_rotatable_bonds: 2
MolWt: 209.25 Num_heavy_atoms: 16
TPSA: 62.7 NumAromaticRings: 2

Sugarmoiety
SD00169

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