Glycoside
...
GD095714

Name:
None

Formula:
C17H21O11N3S

Smiles:
N#Cc1cccc(N2C[C@H](C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)OC2=O)c1

Aglycone:
COS(O)(O)O.N#Cc1cccc(N2CC(C(N)=O)OC2=O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: -1.04 Num_rotatable_bonds: 6
MolWt: 475.43 Num_heavy_atoms: 32
TPSA: 222.27 NumAromaticRings: 1

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
AD35258
Formula: C11H9O3N3

Smiles:
N#Cc1cccc(N2CC(C(N)=O)OC2=O)c1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 0.37 Num_rotatable_bonds: 2
MolWt: 231.21 Num_heavy_atoms: 17
TPSA: 96.42 NumAromaticRings: 1

Sugarmoiety
SD00017

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