Glycoside
...
GD111186

Name:
None

Formula:
C29H29O9N3S

Smiles:
CC(=O)OC[C@H]1O[C@@H](Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.34
AlogP: 3.38 Num_rotatable_bonds: 9
MolWt: 595.63 Num_heavy_atoms: 42
TPSA: 153.1 NumAromaticRings: 3

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
AD44698
Formula: C15H11N3S

Smiles:
Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 3.49 Num_rotatable_bonds: 2
MolWt: 265.34 Num_heavy_atoms: 19
TPSA: 38.67 NumAromaticRings: 3

Sugarmoiety
SD00012

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