Glycoside
...
GD003756

Name:
None

Formula:
C15H18O7N4

Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COc1ncnc2c1N=C[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: -0.41 Num_rotatable_bonds: 5
MolWt: 366.33 Num_heavy_atoms: 26
TPSA: 134.89 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
AD01211
Formula: C6H5ON4

Smiles:
COc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.17
AlogP: 0.39 Num_rotatable_bonds: 1
MolWt: 149.13 Num_heavy_atoms: 11
TPSA: 61.47 NumAromaticRings: 1

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O