Glycoside
...
GD019099

Name:
None

Formula:
C21H35O7N5

Smiles:
NC(Cc1ccccc1)C(=O)NCC1O[C@H](O[C@@H]2C(N)C[C@H](N)[C@H](O)C2O)[C@H](N)C(O)[C@H]1O

Aglycone:
CNC(=O)C(N)Cc1ccccc1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 13 FractionCSP3: 0.67
AlogP: -4.39 Num_rotatable_bonds: 7
MolWt: 469.54 Num_heavy_atoms: 33
TPSA: 232.56 NumAromaticRings: 1

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD13379
Formula: C10H14ON2

Smiles:
CNC(=O)C(N)Cc1ccccc1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.3
AlogP: 0.3 Num_rotatable_bonds: 3
MolWt: 178.24 Num_heavy_atoms: 13
TPSA: 55.12 NumAromaticRings: 1

Sugarmoiety
SD00266

NC1C(O)OC(O)C(O)C1O