Glycoside
...
GD097104

Name:
None

Formula:
C17H29O9NF2S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C1(CC2CC2)CCC(F)(F)CC1

Aglycone:
COS(O)(O)O.NC(=O)C1(CC2CC2)CCC(F)(F)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.94
AlogP: 1.06 Num_rotatable_bonds: 7
MolWt: 461.48 Num_heavy_atoms: 30
TPSA: 168.94 NumAromaticRings: 0

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
AD41279
Formula: C11H17ONF2

Smiles:
NC(=O)C1(CC2CC2)CCC(F)(F)CC1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.91
AlogP: 2.47 Num_rotatable_bonds: 3
MolWt: 217.26 Num_heavy_atoms: 15
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00017

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