Glycoside
...
GD015132

Name:
None

Formula:
C22H26O19N2S4

Smiles:
O=C(CN(Cc1ccccc1)C(=O)C1OC(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)NCc1ccccc1

Aglycone:
O=CN(CC(=O)NCc1ccccc1)Cc1ccccc1.O=S(=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: 21 RingCount: 3
HBD: 5 FractionCSP3: 0.36
AlogP: -1.56 Num_rotatable_bonds: 15
MolWt: 750.71 Num_heavy_atoms: 47
TPSA: 313.04 NumAromaticRings: 2

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD00849
Formula: C17H18O2N2

Smiles:
O=CN(CC(=O)NCc1ccccc1)Cc1ccccc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 1.96 Num_rotatable_bonds: 7
MolWt: 282.34 Num_heavy_atoms: 21
TPSA: 49.41 NumAromaticRings: 2

Sugarmoiety
SD00017

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