Glycoside
...
GD019444

Name:
None

Formula:
C48H84O8N2S

Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CSC2OC(C)C(O)C(O)C2O)cc(C(=O)NCCC(=O)O)c1

Aglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS)cc(C(=O)NCCC(=O)O)c1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 6 FractionCSP3: 0.81
AlogP: 10.48 Num_rotatable_bonds: 36
MolWt: 849.27 Num_heavy_atoms: 59
TPSA: 165.42 NumAromaticRings: 1

Unique Aglycone
AD13570
Formula: C42H74O4N2S

Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS)cc(C(=O)NCCC(=O)O)c1
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.79
AlogP: 11.85 Num_rotatable_bonds: 34
MolWt: 703.13 Num_heavy_atoms: 49
TPSA: 95.5 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O