Glycoside
...
GD097527

Name:
None

Formula:
C20H25O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(NCc3ccnn3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1nccc1CNc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: -0.79 Num_rotatable_bonds: 8
MolWt: 479.45 Num_heavy_atoms: 34
TPSA: 172.84 NumAromaticRings: 2

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
AD41488
Formula: C9H11O2N5

Smiles:
Cn1nccc1CNc1c[nH]c(=O)[nH]c1=O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.22
AlogP: -0.59 Num_rotatable_bonds: 3
MolWt: 221.22 Num_heavy_atoms: 16
TPSA: 95.57 NumAromaticRings: 2

Sugarmoiety
SD00105

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