Glycoside
...
GD011324

Name:
None

Formula:
C28H46O12N2

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

Aglycone:
CC(C)CC(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: 0.82
AlogP: 0.98 Num_rotatable_bonds: 13
MolWt: 602.68 Num_heavy_atoms: 42
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
AD07784
Formula: C14H28O3N2

Smiles:
CC(C)CC(NCCC1OCC(C)(C)CO1)C(N)=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.93
AlogP: 1.27 Num_rotatable_bonds: 7
MolWt: 272.39 Num_heavy_atoms: 19
TPSA: 73.58 NumAromaticRings: 0

Sugarmoiety
SD00889

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