Glycoside
...
GD098941

Name:
None

Formula:
C21H31O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H]3CCC[C@@H]([NH3+])C3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]C1CCCC(Nc2c[nH]c(=O)[nH]c2=O)C1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.67
AlogP: -1.17 Num_rotatable_bonds: 7
MolWt: 483.5 Num_heavy_atoms: 34
TPSA: 182.66 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
AD42106
Formula: C10H17O2N4

Smiles:
[NH3+]C1CCCC(Nc2c[nH]c(=O)[nH]c2=O)C1
HBA: 6 RingCount: 2
HBD: 6 FractionCSP3: 0.6
AlogP: -0.97 Num_rotatable_bonds: 2
MolWt: 225.27 Num_heavy_atoms: 16
TPSA: 105.39 NumAromaticRings: 1

Sugarmoiety
SD00105

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