Glycoside
...
GD101478

Name:
None

Formula:
C21H25O9N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccn3ccnc3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccn2ccnc2c1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 0.83 Num_rotatable_bonds: 7
MolWt: 463.44 Num_heavy_atoms: 33
TPSA: 143.76 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
AD25832
Formula: C7H7N3

Smiles:
Nc1ccn2ccnc2c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.92 Num_rotatable_bonds: 0
MolWt: 133.15 Num_heavy_atoms: 10
TPSA: 43.32 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O