Glycoside
...
GD089290

Name:
None

Formula:
C17H24O10N2S

Smiles:
COc1cc2ccnc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2cc1OC

Aglycone:
COS(O)(O)O.COc1cc2ccnc(N)c2cc1OC

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: 0.63 Num_rotatable_bonds: 7
MolWt: 448.45 Num_heavy_atoms: 30
TPSA: 183.22 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
AD38946
Formula: C11H12O2N2

Smiles:
COc1cc2ccnc(N)c2cc1OC
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 204.23 Num_heavy_atoms: 15
TPSA: 57.37 NumAromaticRings: 2

Sugarmoiety
SD00017

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