Glycoside
...
GD087409

Name:
None

Formula:
C15H23O10N2FS

Smiles:
CC(C)Oc1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cnc1F

Aglycone:
CC(C)Oc1cc(C(N)=O)cnc1F.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: -0.3 Num_rotatable_bonds: 7
MolWt: 442.42 Num_heavy_atoms: 29
TPSA: 191.06 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
AD31349
Formula: C9H11O2N2F

Smiles:
CC(C)Oc1cc(C(N)=O)cnc1F
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.11 Num_rotatable_bonds: 3
MolWt: 198.2 Num_heavy_atoms: 14
TPSA: 65.21 NumAromaticRings: 1

Sugarmoiety
SD00017

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