Glycoside
...
GD100371

Name:
None

Formula:
C20H25O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2[nH+]cnc3[nH]ccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1[nH+]cnc2[nH]ccc12

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -0.13 Num_rotatable_bonds: 7
MolWt: 465.44 Num_heavy_atoms: 33
TPSA: 169.28 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD42409
Formula: C6H7N4

Smiles:
Nc1[nH+]cnc2[nH]ccc12
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.04 Num_rotatable_bonds: 0
MolWt: 135.15 Num_heavy_atoms: 10
TPSA: 68.84 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O