Glycoside
...
GD093780

Name:
None

Formula:
C18H28O9N3FS

Smiles:
CN1CCN(c2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c(F)c2)CC1

Aglycone:
CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.61
AlogP: -0.73 Num_rotatable_bonds: 6
MolWt: 481.5 Num_heavy_atoms: 32
TPSA: 175.42 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
AD33633
Formula: C12H16ON3F

Smiles:
CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 0.68 Num_rotatable_bonds: 2
MolWt: 237.28 Num_heavy_atoms: 17
TPSA: 49.57 NumAromaticRings: 1

Sugarmoiety
SD00017

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