Glycoside
...
GD096401

Name:
None

Formula:
C21H31O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NC3C[NH+](C(C)C)C3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)[NH+]1CC(Nc2c[nH]c(=O)[nH]c2=O)C1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.67
AlogP: -2.05 Num_rotatable_bonds: 8
MolWt: 483.5 Num_heavy_atoms: 34
TPSA: 159.46 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
AD40998
Formula: C10H17O2N4

Smiles:
CC(C)[NH+]1CC(Nc2c[nH]c(=O)[nH]c2=O)C1
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.6
AlogP: -1.85 Num_rotatable_bonds: 3
MolWt: 225.27 Num_heavy_atoms: 16
TPSA: 82.19 NumAromaticRings: 1

Sugarmoiety
SD00105

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