Glycoside
...
GD005317

Name:
None

Formula:
C20H26O20N2S4

Smiles:
CC(=O)N(CCc1ccccc1)CC(=O)NCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]

Aglycone:
CC(=O)N(CCc1ccccc1)CC(=O)NCCO.COS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O

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

Other Identifiers

Properties
HBA: 22 RingCount: 2
HBD: 1 FractionCSP3: 0.6
AlogP: -4.05 Num_rotatable_bonds: 18
MolWt: 742.69 Num_heavy_atoms: 46
TPSA: 333.59 NumAromaticRings: 1

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD00581
Formula: CH3O4S

Smiles:
COS(=O)(=O)[O-]
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.91 Num_rotatable_bonds: 1
MolWt: 111.1 Num_heavy_atoms: 6
TPSA: 66.43 NumAromaticRings: 0
AD04536
Formula: C14H20O3N2

Smiles:
CC(=O)N(CCc1ccccc1)CC(=O)NCCO
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 0.19 Num_rotatable_bonds: 7
MolWt: 264.32 Num_heavy_atoms: 19
TPSA: 69.64 NumAromaticRings: 1

Sugarmoiety
SD00017

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