Glycoside
...
GD022778

Name:
None

Formula:
C33H32O13NF3

Smiles:
CC(=O)OCC1OC(O[C@@H]2C[C@H](C(C)=O)Cc3c2c(O)cc2c(=O)c4ccccc4oc32)[C@H](NC(=O)C(F)(F)F)C(OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)C(O)C1.COC(C)=O.NC(=O)C(F)(F)F

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 2 FractionCSP3: 0.45
AlogP: 3.06 Num_rotatable_bonds: 8
MolWt: 707.61 Num_heavy_atoms: 50
TPSA: 193.97 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
AD01445
Formula: C2H2ONF3

Smiles:
NC(=O)C(F)(F)F
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: 0.03 Num_rotatable_bonds: 0
MolWt: 113.04 Num_heavy_atoms: 7
TPSA: 43.09 NumAromaticRings: 0
AD15404
Formula: C19H16O5

Smiles:
CC(=O)C1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)C(O)C1
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.26
AlogP: 2.84 Num_rotatable_bonds: 1
MolWt: 324.33 Num_heavy_atoms: 24
TPSA: 87.74 NumAromaticRings: 3

Sugarmoiety
SD00013

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