Glycoside
...
GD018147

Name:
None

Formula:
C26H32O11N2S

Smiles:
Cc1ccc(COc2ccsc2C(=O)NCC2OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C2O)cc1

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNC(=O)c1sccc1OCc1ccc(C)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.46
AlogP: 0.04 Num_rotatable_bonds: 13
MolWt: 580.61 Num_heavy_atoms: 40
TPSA: 211.95 NumAromaticRings: 2

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD12854
Formula: C14H15O2NS

Smiles:
CNC(=O)c1sccc1OCc1ccc(C)cc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.21
AlogP: 3.0 Num_rotatable_bonds: 4
MolWt: 261.35 Num_heavy_atoms: 18
TPSA: 38.33 NumAromaticRings: 2

Sugarmoiety
SD00017

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