Glycoside
...
GD096184

Name:
None

Formula:
C21H32O11N2

Smiles:
COC(=O)N1CCC(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CC1

Aglycone:
COC(=O)N1CCC(N)CC1.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.76
AlogP: -0.11 Num_rotatable_bonds: 7
MolWt: 488.49 Num_heavy_atoms: 34
TPSA: 156.0 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
AD26676
Formula: C7H14O2N2

Smiles:
COC(=O)N1CCC(N)CC1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 158.2 Num_heavy_atoms: 11
TPSA: 55.56 NumAromaticRings: 0

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O