Glycoside
...
GD017116

Name:
None

Formula:
C21H27O16N2S3

Smiles:
O=C(CN(Cc1ccccc1)C(=O)C1OC(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1O)NC1CCCCC1

Aglycone:
O=CN(CC(=O)NC1CCCCC1)Cc1ccccc1.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: 18 RingCount: 3
HBD: 2 FractionCSP3: 0.62
AlogP: -2.28 Num_rotatable_bonds: 12
MolWt: 659.65 Num_heavy_atoms: 42
TPSA: 278.16 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
AD00817
Formula: C16H22O2N2

Smiles:
O=CN(CC(=O)NC1CCCCC1)Cc1ccccc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 2.09 Num_rotatable_bonds: 6
MolWt: 274.36 Num_heavy_atoms: 20
TPSA: 49.41 NumAromaticRings: 1

Sugarmoiety
SD00017

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