Glycoside
...
GD093982

Name:
None

Formula:
C21H28O10N2S

Smiles:
Cc1ccc(C(=O)c2ccc(CC(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)n2C)cc1

Aglycone:
COS(O)(O)O.Cc1ccc(C(=O)c2ccc(CC(N)=O)n2C)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 0.19 Num_rotatable_bonds: 8
MolWt: 500.53 Num_heavy_atoms: 34
TPSA: 190.94 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD37523
Formula: C15H16O2N2

Smiles:
Cc1ccc(C(=O)c2ccc(CC(N)=O)n2C)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.59 Num_rotatable_bonds: 4
MolWt: 256.3 Num_heavy_atoms: 19
TPSA: 65.09 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O