Glycoside
...
GD095869

Name:
None

Formula:
C19H22O10N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cnc3[nH]ncc3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cnc2[nH]ncc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: -0.62 Num_rotatable_bonds: 6
MolWt: 466.4 Num_heavy_atoms: 33
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
AD40824
Formula: C5H4ON4

Smiles:
O=c1[nH]cnc2[nH]ncc12
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.35 Num_rotatable_bonds: 0
MolWt: 136.11 Num_heavy_atoms: 10
TPSA: 74.43 NumAromaticRings: 2

Sugarmoiety
SD00012

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