Glycoside
...
GD001389

Name:
None

Formula:
C18H24O9N5

Smiles:
CC(=O)OCC1OC([n+]2cn(CCO)c3c(O)nc(N)nc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc(O)c2c(n1)[nH+]cn2CCO

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.56
AlogP: -1.68 Num_rotatable_bonds: 7
MolWt: 454.42 Num_heavy_atoms: 32
TPSA: 189.2 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
AD01403
Formula: C7H10O2N5

Smiles:
Nc1nc(O)c2c(n1)[nH+]cn2CCO
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.29
AlogP: -1.47 Num_rotatable_bonds: 2
MolWt: 196.19 Num_heavy_atoms: 14
TPSA: 111.33 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O