Glycoside
...
GD024336

Name:
None

Formula:
C35H40O10N3FCl2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(=O)Nc2ccc(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(O)Nc1ccc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 4.97 Num_rotatable_bonds: 16
MolWt: 728.6 Num_heavy_atoms: 49
TPSA: 158.8 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
AD16260
Formula: C23H25O3N3Cl2

Smiles:
O=C(O)Nc1ccc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: 5.02 Num_rotatable_bonds: 11
MolWt: 438.36 Num_heavy_atoms: 29
TPSA: 81.67 NumAromaticRings: 2

Sugarmoiety
SD00332

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