Glycoside
...
GD097981

Name:
None

Formula:
C20H22O10N4

Smiles:
COc1ncc(-c2cn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)[nH]c2=O)cn1

Aglycone:
COC(C)=O.COc1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.45
AlogP: -0.67 Num_rotatable_bonds: 7
MolWt: 478.41 Num_heavy_atoms: 34
TPSA: 178.0 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
AD41678
Formula: C9H8O3N4

Smiles:
COc1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: -0.47 Num_rotatable_bonds: 2
MolWt: 220.19 Num_heavy_atoms: 16
TPSA: 100.73 NumAromaticRings: 2

Sugarmoiety
SD00105

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