Glycoside
...
GD095743

Name:
None

Formula:
C18H21O10N5

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

Aglycone:
COC(C)=O.N#CC(Nc1c[nH]c(=O)[nH]c1=O)C(N)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 4 FractionCSP3: 0.5
AlogP: -2.35 Num_rotatable_bonds: 8
MolWt: 467.39 Num_heavy_atoms: 33
TPSA: 221.9 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
AD40809
Formula: C7H7O3N5

Smiles:
N#CC(Nc1c[nH]c(=O)[nH]c1=O)C(N)=O
HBA: 8 RingCount: 1
HBD: 5 FractionCSP3: 0.14
AlogP: -2.15 Num_rotatable_bonds: 3
MolWt: 209.16 Num_heavy_atoms: 15
TPSA: 144.63 NumAromaticRings: 1

Sugarmoiety
SD00105

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