Glycoside
...
GD017082

Name:
None

Formula:
C24H25O5N3

Smiles:
O=C(NCc1ccc(-c2ccon2)cc1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1ccccc1

Aglycone:
NCc1ccc(-c2ccon2)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: 0.29
AlogP: 2.04 Num_rotatable_bonds: 7
MolWt: 435.48 Num_heavy_atoms: 32
TPSA: 115.9 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
AD12237
Formula: C10H10ON2

Smiles:
NCc1ccc(-c2ccon2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 1.8 Num_rotatable_bonds: 2
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 52.05 NumAromaticRings: 2

Sugarmoiety
SD00169

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