Glycoside
...
GD020153

Name:
None

Formula:
C20H34O8N4

Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CN(CC=CC=O)CC=CC=O)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1O

Aglycone:
CN(CC=CC=O)CC=CC=O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 10 FractionCSP3: 0.7
AlogP: -4.26 Num_rotatable_bonds: 10
MolWt: 458.51 Num_heavy_atoms: 32
TPSA: 214.82 NumAromaticRings: 0

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
AD13956
Formula: C9H13O2N

Smiles:
CN(CC=CC=O)CC=CC=O
HBA: 3 RingCount: 0
HBD: 0 FractionCSP3: 0.33
AlogP: 0.43 Num_rotatable_bonds: 6
MolWt: 167.21 Num_heavy_atoms: 12
TPSA: 37.38 NumAromaticRings: 0

Sugarmoiety
SD00266

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