Glycoside
...
GD037053

Name:
None

Formula:
C21H29O9N3

Smiles:
COC(=O)C#Cc1c(C(=O)OC)nnn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)C)[C@H]1OC(C)C

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

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.67
AlogP: 0.64 Num_rotatable_bonds: 8
MolWt: 467.48 Num_heavy_atoms: 33
TPSA: 137.3 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
AD21680
Formula: C8H6O4N3

Smiles:
COC(=O)C#CC1=C(C(=O)OC)N=N[N]1
HBA: 7 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: -0.47 Num_rotatable_bonds: 1
MolWt: 208.15 Num_heavy_atoms: 15
TPSA: 91.42 NumAromaticRings: 0

Sugarmoiety
SD00754

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