Glycoside
...
GD098646

Name:
None

Formula:
C21H32O11N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)NCC2CCOCC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)NCC1CCOCC1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 2 FractionCSP3: 0.76
AlogP: -0.2 Num_rotatable_bonds: 8
MolWt: 488.49 Num_heavy_atoms: 34
TPSA: 164.79 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
AD41958
Formula: C7H14O2N2

Smiles:
NC(=O)NCC1CCOCC1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.86
AlogP: 0.08 Num_rotatable_bonds: 2
MolWt: 158.2 Num_heavy_atoms: 11
TPSA: 64.35 NumAromaticRings: 0

Sugarmoiety
SD00889

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