Glycoside
...
GD012784

Name:
None

Formula:
C24H32O18N4S

Smiles:
CC(=O)N[C@@H]1[C@H](OC(=O)NS(=O)(=O)OC[C@@H]2OC(n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COS(=O)(=O)NC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 5 FractionCSP3: 0.62
AlogP: -4.2 Num_rotatable_bonds: 11
MolWt: 696.6 Num_heavy_atoms: 47
TPSA: 303.48 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD06710
Formula: C2H5O5NS

Smiles:
COS(=O)(=O)NC(=O)O
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.85 Num_rotatable_bonds: 2
MolWt: 155.13 Num_heavy_atoms: 9
TPSA: 92.7 NumAromaticRings: 0

Sugarmoiety
SD01777

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.OC1OC(O)C(O)C1O