Glycoside
...
GD107787

Name:
None

Formula:
C26H37O14N

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C(C)=CC[C@@H](C(=O)OC(C)(C)C)[C@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1=CCC(C(=O)OC(C)(C)C)C([N+](=O)[O-])C1O.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 0 FractionCSP3: 0.73
AlogP: 1.41 Num_rotatable_bonds: 9
MolWt: 587.58 Num_heavy_atoms: 41
TPSA: 193.1 NumAromaticRings: 0

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
AD44343
Formula: C12H19O5N

Smiles:
CC1=CCC(C(=O)OC(C)(C)C)C([N+](=O)[O-])C1O
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.75
AlogP: 1.3 Num_rotatable_bonds: 2
MolWt: 257.29 Num_heavy_atoms: 18
TPSA: 89.67 NumAromaticRings: 0

Sugarmoiety
SD00012

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