Glycoside
...
GD004648

Name:
None

Formula:
C44H51O7N2F

Smiles:
CC(=O)NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccc(F)cc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Aglycone:
COCCCCCNC(C)=O.OCCc1c[nH]c2ccccc12.OCc1ccc(F)cc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 6
HBD: 2 FractionCSP3: 0.39
AlogP: 7.67 Num_rotatable_bonds: 21
MolWt: 738.9 Num_heavy_atoms: 54
TPSA: 100.27 NumAromaticRings: 5

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD00863
Formula: C10H11ON

Smiles:
OCCc1c[nH]c2ccccc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 1.7 Num_rotatable_bonds: 2
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 36.02 NumAromaticRings: 2
AD01145
Formula: C8H17O2N

Smiles:
COCCCCCNC(C)=O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 0.94 Num_rotatable_bonds: 6
MolWt: 159.23 Num_heavy_atoms: 11
TPSA: 38.33 NumAromaticRings: 0
AD03134
Formula: C7H7OF

Smiles:
OCc1ccc(F)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.32 Num_rotatable_bonds: 1
MolWt: 126.13 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O