Glycoside
...
GD011165

Name:
None

Formula:
C27H36O13N2S2

Smiles:
CC(=O)N[C@H](CSSc1ccc2cc(O)ccc2c1)C(=O)NC1[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC(=O)NC(CSSc1ccc2cc(O)ccc2c1)C(N)=O.OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 11 FractionCSP3: 0.56
AlogP: -3.08 Num_rotatable_bonds: 10
MolWt: 660.72 Num_heavy_atoms: 44
TPSA: 258.73 NumAromaticRings: 2

Unique Aglycone
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0
AD08558
Formula: C15H16O3N2S2

Smiles:
CC(=O)NC(CSSc1ccc2cc(O)ccc2c1)C(N)=O
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.2
AlogP: 2.28 Num_rotatable_bonds: 6
MolWt: 336.44 Num_heavy_atoms: 22
TPSA: 92.42 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O