Glycoside
...
GD001431

Name:
None

Formula:
C28H39O11N

Smiles:
CC(=O)OC[C@@H]1O[C@H](ON=C[C@H](C)[C@H](OCc2ccccc2)C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)C(OCc1ccccc1)C(C)C=NO.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.61
AlogP: 2.95 Num_rotatable_bonds: 13
MolWt: 565.62 Num_heavy_atoms: 40
TPSA: 145.25 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
AD01439
Formula: C14H21O2N

Smiles:
CC(C)C(OCc1ccccc1)C(C)C=NO
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: 3.32 Num_rotatable_bonds: 6
MolWt: 235.33 Num_heavy_atoms: 17
TPSA: 41.82 NumAromaticRings: 1

Sugarmoiety
SD00012

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