Glycoside
...
GD093729

Name:
None

Formula:
C17H23O10N3S

Smiles:
Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)[nH]1

Aglycone:
COS(O)(O)O.Cc1cc(=O)n(-c2ccc(C(N)=O)cc2)[nH]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.41
AlogP: -0.83 Num_rotatable_bonds: 6
MolWt: 461.45 Num_heavy_atoms: 31
TPSA: 206.73 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
AD33565
Formula: C11H11O2N3

Smiles:
Cc1cc(=O)n(-c2ccc(C(N)=O)cc2)[nH]1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.09
AlogP: 0.57 Num_rotatable_bonds: 2
MolWt: 217.23 Num_heavy_atoms: 16
TPSA: 80.88 NumAromaticRings: 2

Sugarmoiety
SD00017

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