Glycoside
...
GD096701

Name:
None

Formula:
C18H25O9N3S

Smiles:
CCOc1ccc(-c2ccc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nn2)cc1

Aglycone:
CCOc1ccc(-c2ccc(N)nn2)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.92 Num_rotatable_bonds: 8
MolWt: 459.48 Num_heavy_atoms: 31
TPSA: 186.88 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
AD41115
Formula: C12H13ON3

Smiles:
CCOc1ccc(-c2ccc(N)nn2)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 2.12 Num_rotatable_bonds: 3
MolWt: 215.26 Num_heavy_atoms: 16
TPSA: 61.03 NumAromaticRings: 2

Sugarmoiety
SD00017

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