Glycoside
...
GD093868

Name:
None

Formula:
C19H30O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H](N)CCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(CCC[NH3+])Nc1c[nH]c(=O)[nH]c1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.63
AlogP: -2.42 Num_rotatable_bonds: 10
MolWt: 472.48 Num_heavy_atoms: 33
TPSA: 208.68 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
AD40468
Formula: C8H16O2N5

Smiles:
NC(CCC[NH3+])Nc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 1
HBD: 8 FractionCSP3: 0.5
AlogP: -2.22 Num_rotatable_bonds: 5
MolWt: 214.25 Num_heavy_atoms: 15
TPSA: 131.41 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O