Glycoside
...
GD006073

Name:
None

Formula:
C52H57O21NF2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([C@@H]3[C@H](CC[C@H](OC(C)=O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccc(F)cc1.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 0 FractionCSP3: 0.48
AlogP: 4.75 Num_rotatable_bonds: 20
MolWt: 1070.01 Num_heavy_atoms: 76
TPSA: 267.63 NumAromaticRings: 3

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
AD05059
Formula: C26H23O4NF2

Smiles:
CC(=O)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccc(F)cc1
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.23
AlogP: 5.46 Num_rotatable_bonds: 7
MolWt: 451.47 Num_heavy_atoms: 33
TPSA: 66.84 NumAromaticRings: 3

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O