Glycoside
...
GD008658

Name:
None

Formula:
C35H63O6N2ClS

Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O

Aglycone:
CCCC1CC(C(=O)NCC(C)Cl)N(C)C1.CCCCCCCCCCCCCCCC(=O)O

Sugarmoiety:
CSC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.94
AlogP: 6.42 Num_rotatable_bonds: 22
MolWt: 663.41 Num_heavy_atoms: 44
TPSA: 108.33 NumAromaticRings: 0

Unique Aglycone
AD00263
Formula: C16H32O2

Smiles:
CCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 5.55 Num_rotatable_bonds: 14
MolWt: 256.43 Num_heavy_atoms: 18
TPSA: 37.3 NumAromaticRings: 0
AD03525
Formula: C13H23ON2Cl

Smiles:
CCCC1CC(C(=O)NCC(C)Cl)N(C)C1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.92
AlogP: 1.85 Num_rotatable_bonds: 5
MolWt: 246.78 Num_heavy_atoms: 16
TPSA: 32.34 NumAromaticRings: 0

Sugarmoiety
SD00233

CSC1OC(O)C(O)C(O)C1O