Glycoside
...
GD097509

Name:
None

Formula:
C19H26O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nnc(C)c(C)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1nnc(N)nc1C

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.63
AlogP: -0.02 Num_rotatable_bonds: 7
MolWt: 454.44 Num_heavy_atoms: 32
TPSA: 165.13 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
AD30703
Formula: C5H8N4

Smiles:
Cc1nnc(N)nc1C
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 0.07 Num_rotatable_bonds: 0
MolWt: 124.15 Num_heavy_atoms: 9
TPSA: 64.69 NumAromaticRings: 1

Sugarmoiety
SD00889

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