Glycoside
...
GD022495

Name:
None

Formula:
C31H31O13N

Smiles:
COc1cccc2c1C(=O)c1c(OC)cc(C=N[C@@H]3C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2=O

Aglycone:
COC(C)=O.COc1cccc2c1C(=O)c1c(OC)cc(C=N)cc1C2=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 1.98 Num_rotatable_bonds: 9
MolWt: 625.58 Num_heavy_atoms: 45
TPSA: 179.39 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
AD15240
Formula: C17H13O4N

Smiles:
COc1cccc2c1C(=O)c1c(OC)cc(C=N)cc1C2=O
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.12
AlogP: 2.48 Num_rotatable_bonds: 3
MolWt: 295.29 Num_heavy_atoms: 22
TPSA: 76.45 NumAromaticRings: 2

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O