Glycoside
...
GD101507

Name:
None

Formula:
C22H32O9N4

Smiles:
CCN(C)c1nc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ncc1C

Aglycone:
CCN(C)c1nc(N)ncc1C.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.64
AlogP: 0.74 Num_rotatable_bonds: 9
MolWt: 496.52 Num_heavy_atoms: 35
TPSA: 155.48 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
AD42967
Formula: C8H14N4

Smiles:
CCN(C)c1nc(N)ncc1C
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: 0.82 Num_rotatable_bonds: 2
MolWt: 166.23 Num_heavy_atoms: 12
TPSA: 55.04 NumAromaticRings: 1

Sugarmoiety
SD00215

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