Glycoside
...
GD026916

Name:
None

Formula:
C25H33O11N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2nnc(C(=O)OC(C)(C)C)c2C#CC(=O)OC(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)(C)OC(=O)C#CC1=C(C(=O)OC(C)(C)C)N=N[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 0 FractionCSP3: 0.64
AlogP: 1.25 Num_rotatable_bonds: 6
MolWt: 551.55 Num_heavy_atoms: 39
TPSA: 171.44 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
AD17718
Formula: C14H18O4N3

Smiles:
CC(C)(C)OC(=O)C#CC1=C(C(=O)OC(C)(C)C)N=N[N]1
HBA: 7 RingCount: 1
HBD: 0 FractionCSP3: 0.57
AlogP: 1.87 Num_rotatable_bonds: 1
MolWt: 292.31 Num_heavy_atoms: 21
TPSA: 91.42 NumAromaticRings: 0

Sugarmoiety
SD00105

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