Glycoside
...
GD031709

Name:
None

Formula:
C37H42O12N3FCl2

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.49
AlogP: 4.05 Num_rotatable_bonds: 18
MolWt: 786.63 Num_heavy_atoms: 53
TPSA: 185.1 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
AD20408
Formula: C25H27O5N3Cl2

Smiles:
O=C(O)NCC(=O)Nc1ccc(OC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.35
AlogP: 4.11 Num_rotatable_bonds: 13
MolWt: 496.39 Num_heavy_atoms: 33
TPSA: 107.97 NumAromaticRings: 2

Sugarmoiety
SD00332

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