Glycoside
...
GD098983

Name:
None

Formula:
C21H29O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2[nH+]ncc3c2OCCN3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN1CCOc2c1cn[nH+]c2N.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.62
AlogP: -0.78 Num_rotatable_bonds: 7
MolWt: 497.48 Num_heavy_atoms: 35
TPSA: 165.96 NumAromaticRings: 1

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
AD29054
Formula: C7H11ON4

Smiles:
CN1CCOc2c1cn[nH+]c2N
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.43
AlogP: -0.69 Num_rotatable_bonds: 0
MolWt: 167.19 Num_heavy_atoms: 12
TPSA: 65.52 NumAromaticRings: 1

Sugarmoiety
SD00889

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