Glycoside
...
GD085871

Name:
None

Formula:
C19H21O6N3S

Smiles:
Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)c2cnn(-c3ccccc3)n2)cc1

Aglycone:
Cc1ccc([S](=O)=O)cc1.c1ccc(-n2nccn2)cc1

Sugarmoiety:
OOCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 3 FractionCSP3: 0.26
AlogP: 0.74 Num_rotatable_bonds: 8
MolWt: 419.46 Num_heavy_atoms: 29
TPSA: 134.77 NumAromaticRings: 3

Unique Aglycone
AD00423
Formula: C7H7O2S

Smiles:
Cc1ccc([S](=O)=O)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 1.23 Num_rotatable_bonds: 1
MolWt: 155.2 Num_heavy_atoms: 10
TPSA: 34.14 NumAromaticRings: 1
AD05614
Formula: C8H7N3

Smiles:
c1ccc(-n2nccn2)cc1
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.27 Num_rotatable_bonds: 1
MolWt: 145.17 Num_heavy_atoms: 11
TPSA: 30.71 NumAromaticRings: 2

Sugarmoiety
SD01759

OOCC(O)C(O)C(O)O