Glycoside
...
GD095732

Name:
None

Formula:
C17H19O10N3S

Smiles:
N#Cc1cccc(-c2cc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)no2)c1

Aglycone:
COS(O)(O)O.N#Cc1cccc(-c2cc(C(N)=O)no2)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: -0.09 Num_rotatable_bonds: 6
MolWt: 457.42 Num_heavy_atoms: 31
TPSA: 218.76 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
AD35269
Formula: C11H7O2N3

Smiles:
N#Cc1cccc(-c2cc(C(N)=O)no2)c1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 213.2 Num_heavy_atoms: 16
TPSA: 92.91 NumAromaticRings: 2

Sugarmoiety
SD00017

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