Glycoside
...
GD035830

Name:
None

Formula:
C27H44O12N2

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@H](NCCC2OCC(C)(C)CO2)C(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)C(NCCC1OCC(C)(C)CO1)C(N)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.81
AlogP: 0.59 Num_rotatable_bonds: 12
MolWt: 588.65 Num_heavy_atoms: 41
TPSA: 174.02 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
AD11966
Formula: C13H26O3N2

Smiles:
CC(C)C(NCCC1OCC(C)(C)CO1)C(N)=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.92
AlogP: 0.88 Num_rotatable_bonds: 6
MolWt: 258.36 Num_heavy_atoms: 18
TPSA: 73.58 NumAromaticRings: 0

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O