Glycoside
...
GD095543

Name:
None

Formula:
C22H31O7N4

Smiles:
Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(C)(C)C)c1=O

Aglycone:
Cn1nc(-c2ccc(C[NH3+])cc2)cc(NC(C)(C)C)c1=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.45
AlogP: -2.04 Num_rotatable_bonds: 8
MolWt: 463.51 Num_heavy_atoms: 33
TPSA: 180.83 NumAromaticRings: 2

Unique Aglycone
AD40764
Formula: C16H23ON4

Smiles:
Cn1nc(-c2ccc(C[NH3+])cc2)cc(NC(C)(C)C)c1=O
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.38
AlogP: 1.4 Num_rotatable_bonds: 3
MolWt: 287.39 Num_heavy_atoms: 21
TPSA: 74.56 NumAromaticRings: 2

Sugarmoiety
SD00818

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