Glycoside
...
GD037150

Name:
None

Formula:
C23H33O9N3

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

Aglycone:
CCOC(=O)C#CC1=C(C(=O)OCC)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: 0.7
AlogP: 1.42 Num_rotatable_bonds: 10
MolWt: 495.53 Num_heavy_atoms: 35
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
AD01619
Formula: C10H10O4N3

Smiles:
CCOC(=O)C#CC1=C(C(=O)OCC)N=N[N]1
HBA: 7 RingCount: 1
HBD: 0 FractionCSP3: 0.4
AlogP: 0.31 Num_rotatable_bonds: 3
MolWt: 236.21 Num_heavy_atoms: 17
TPSA: 91.42 NumAromaticRings: 0

Sugarmoiety
SD00754

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