Glycoside
...
GD017313

Name:
None

Formula:
C16H18O9N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(=O)sc3c(O)nc(N)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc(O)c2sc(=O)[nH]c2n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -0.54 Num_rotatable_bonds: 5
MolWt: 442.41 Num_heavy_atoms: 30
TPSA: 182.16 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
AD02577
Formula: C5H4O2N4S

Smiles:
Nc1nc(O)c2sc(=O)[nH]c2n1
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.33 Num_rotatable_bonds: 0
MolWt: 184.18 Num_heavy_atoms: 12
TPSA: 104.89 NumAromaticRings: 2

Sugarmoiety
SD00105

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