Glycoside
...
GD101638

Name:
None

Formula:
C20H27O9N3

Smiles:
CCc1cncnc1N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CCc1cncnc1N.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.6
AlogP: 0.53 Num_rotatable_bonds: 8
MolWt: 453.45 Num_heavy_atoms: 32
TPSA: 152.24 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
AD43027
Formula: C6H9N3

Smiles:
CCc1cncnc1N
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 123.16 Num_heavy_atoms: 9
TPSA: 51.8 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O