Glycoside
...
GD013089

Name:
None

Formula:
C29H33O11N

Smiles:
CNC(=O)c1cccc(-c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(C)c2)c1

Aglycone:
CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.41
AlogP: 2.48 Num_rotatable_bonds: 9
MolWt: 571.58 Num_heavy_atoms: 41
TPSA: 152.76 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
AD05084
Formula: C15H15O2N

Smiles:
CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 2.73 Num_rotatable_bonds: 2
MolWt: 241.29 Num_heavy_atoms: 18
TPSA: 49.33 NumAromaticRings: 2

Sugarmoiety
SD00012

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