Glycoside
...
GD102443

Name:
None

Formula:
C22H27O12N

Smiles:
COc1ccccc1OC(=O)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.COc1ccccc1OC(N)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.87 Num_rotatable_bonds: 8
MolWt: 497.45 Num_heavy_atoms: 35
TPSA: 161.99 NumAromaticRings: 1

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
AD27480
Formula: C8H9O3N

Smiles:
COc1ccccc1OC(N)=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.15 Num_rotatable_bonds: 2
MolWt: 167.16 Num_heavy_atoms: 12
TPSA: 61.55 NumAromaticRings: 1

Sugarmoiety
SD00215

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