Glycoside
...
GD005486

Name:
None

Formula:
C31H31O13N3S

Smiles:
CNS(=O)(=O)c1ccc2c(c1)C(=C1C(=O)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3ccccc31)C(=O)N2

Aglycone:
CNS(=O)(=O)c1ccc2c(c1)C(=C1C(=O)Nc3ccccc31)C(=O)N2.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 2 FractionCSP3: 0.35
AlogP: 0.89 Num_rotatable_bonds: 8
MolWt: 685.66 Num_heavy_atoms: 48
TPSA: 210.01 NumAromaticRings: 2

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
AD04662
Formula: C17H13O4N3S

Smiles:
CNS(=O)(=O)c1ccc2c(c1)C(=C1C(=O)Nc3ccccc31)C(=O)N2
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.06
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 355.38 Num_heavy_atoms: 25
TPSA: 104.37 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O