Glycoside
...
GD101836

Name:
None

Formula:
C23H30O10N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)NCc2cccc(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cccc(CNC(N)=O)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.52
AlogP: 0.88 Num_rotatable_bonds: 8
MolWt: 494.5 Num_heavy_atoms: 35
TPSA: 155.56 NumAromaticRings: 1

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
AD43119
Formula: C9H12ON2

Smiles:
Cc1cccc(CNC(N)=O)c1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 1.16 Num_rotatable_bonds: 2
MolWt: 164.21 Num_heavy_atoms: 12
TPSA: 55.12 NumAromaticRings: 1

Sugarmoiety
SD00889

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