Glycoside
...
GD106992

Name:
None

Formula:
C22H26O9N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3)n2N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nn1c(S)nnc1-c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: 0.83 Num_rotatable_bonds: 8
MolWt: 522.54 Num_heavy_atoms: 36
TPSA: 171.16 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
AD44239
Formula: C8H8N4S

Smiles:
Nn1c(S)nnc1-c1ccccc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.95 Num_rotatable_bonds: 1
MolWt: 192.25 Num_heavy_atoms: 13
TPSA: 56.73 NumAromaticRings: 2

Sugarmoiety
SD00012

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