Glycoside
...
GD021725

Name:
None

Formula:
C26H35O15N

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC=NO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C=C[C@H]1OC(C)=O

Aglycone:
CC(=O)OCC1OC(CC=NO)C=CC1OC(C)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 0 FractionCSP3: 0.65
AlogP: 0.28 Num_rotatable_bonds: 12
MolWt: 601.56 Num_heavy_atoms: 42
TPSA: 197.85 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
AD14804
Formula: C12H17O6N

Smiles:
CC(=O)OCC1OC(CC=NO)C=CC1OC(C)=O
HBA: 7 RingCount: 1
HBD: 1 FractionCSP3: 0.58
AlogP: 0.65 Num_rotatable_bonds: 5
MolWt: 271.27 Num_heavy_atoms: 19
TPSA: 94.42 NumAromaticRings: 0

Sugarmoiety
SD00012

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