Glycoside
...
GD103373

Name:
None

Formula:
C22H29O8N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCC4(CO)CCC4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.OCC1(CNc2ncnc3c2N=C[N]3)CCC1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 2 FractionCSP3: 0.64
AlogP: 0.72 Num_rotatable_bonds: 9
MolWt: 491.5 Num_heavy_atoms: 35
TPSA: 163.99 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
AD32341
Formula: C11H14ON5

Smiles:
OCC1(CNc2ncnc3c2N=C[N]3)CCC1
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.55
AlogP: 0.96 Num_rotatable_bonds: 4
MolWt: 232.27 Num_heavy_atoms: 17
TPSA: 84.5 NumAromaticRings: 1

Sugarmoiety
SD00105

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