Glycoside
...
GD091122

Name:
None

Formula:
C19H28O10N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)NCC2CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)NCC1CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.74
AlogP: -0.22 Num_rotatable_bonds: 8
MolWt: 444.44 Num_heavy_atoms: 31
TPSA: 155.56 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
AD39718
Formula: C5H10ON2

Smiles:
NC(=O)NCC1CC1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.8
AlogP: 0.06 Num_rotatable_bonds: 2
MolWt: 114.15 Num_heavy_atoms: 8
TPSA: 55.12 NumAromaticRings: 0

Sugarmoiety
SD00889

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