Glycoside
...
GD001556

Name:
None

Formula:
C32H38O13N2

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3OC1CC(NC(=O)[C@H](N)CC(C)C)C(O)C(O)O1

Aglycone:
CC(C)CC(N)C(N)=O.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O

Sugarmoiety:
OC1CC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 9 FractionCSP3: 0.5
AlogP: -0.54 Num_rotatable_bonds: 9
MolWt: 658.66 Num_heavy_atoms: 47
TPSA: 255.4 NumAromaticRings: 2

Unique Aglycone
AD01551
Formula: C6H14ON2

Smiles:
CC(C)CC(N)C(N)=O
HBA: 3 RingCount: 0
HBD: 4 FractionCSP3: 0.83
AlogP: -0.15 Num_rotatable_bonds: 3
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 69.11 NumAromaticRings: 0
AD01552
Formula: C21H18O9

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.29
AlogP: 0.15 Num_rotatable_bonds: 3
MolWt: 414.37 Num_heavy_atoms: 30
TPSA: 161.59 NumAromaticRings: 2

Sugarmoiety
SD00402

OC1CC(O)C(O)C(O)O1