Glycoside
...
GD103922

Name:
None

Formula:
C21H27O9N3

Smiles:
C#C[C@](C)(CC)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:
C#CC(C)(CC)Nc1c[nH]c(=O)[nH]c1=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.57
AlogP: 0.07 Num_rotatable_bonds: 8
MolWt: 465.46 Num_heavy_atoms: 33
TPSA: 155.02 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
AD43943
Formula: C10H13O2N3

Smiles:
C#CC(C)(CC)Nc1c[nH]c(=O)[nH]c1=O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.4
AlogP: 0.28 Num_rotatable_bonds: 3
MolWt: 207.23 Num_heavy_atoms: 15
TPSA: 77.75 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O