Glycoside
...
GD006058

Name:
None

Formula:
C24H28O9N2S

Smiles:
CC(=O)OCC1OC(OC(C)=O)C(Nc2ncc(-c3ccc(C)cc3)s2)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc(-c2cnc(N)s2)cc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.46
AlogP: 2.61 Num_rotatable_bonds: 8
MolWt: 520.56 Num_heavy_atoms: 36
TPSA: 139.35 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
AD05048
Formula: C10H10N2S

Smiles:
Cc1ccc(-c2cnc(N)s2)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 2.7 Num_rotatable_bonds: 1
MolWt: 190.27 Num_heavy_atoms: 13
TPSA: 38.91 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O