Glycoside
...
GD100268

Name:
None

Formula:
C22H31O9N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cccc(CN(C)C)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN(C)Cc1cccc(N)n1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.59
AlogP: 0.64 Num_rotatable_bonds: 9
MolWt: 481.5 Num_heavy_atoms: 34
TPSA: 142.59 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
AD25481
Formula: C8H13N3

Smiles:
CN(C)Cc1cccc(N)n1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 0.73 Num_rotatable_bonds: 2
MolWt: 151.21 Num_heavy_atoms: 11
TPSA: 42.15 NumAromaticRings: 1

Sugarmoiety
SD00889

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