Glycoside
...
GD015326

Name:
None

Formula:
C35H39O10N2FCl2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(=O)c2ccc(NC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)cc2)[C@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(C(=O)O)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 4.58 Num_rotatable_bonds: 16
MolWt: 713.58 Num_heavy_atoms: 48
TPSA: 146.77 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
AD11150
Formula: C23H24O3N2Cl2

Smiles:
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(C(=O)O)cc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 4.63 Num_rotatable_bonds: 11
MolWt: 423.34 Num_heavy_atoms: 28
TPSA: 69.64 NumAromaticRings: 2

Sugarmoiety
SD00332

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