Glycoside
...
GD095567

Name:
None

Formula:
C19H27O10N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H]3COC[C@@H]3[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]C1COCC1Nc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.63
AlogP: -2.72 Num_rotatable_bonds: 7
MolWt: 471.44 Num_heavy_atoms: 33
TPSA: 191.89 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
AD40773
Formula: C8H13O3N4

Smiles:
[NH3+]C1COCC1Nc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 2
HBD: 6 FractionCSP3: 0.5
AlogP: -2.52 Num_rotatable_bonds: 2
MolWt: 213.22 Num_heavy_atoms: 15
TPSA: 114.62 NumAromaticRings: 1

Sugarmoiety
SD00105

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