Glycoside
...
GD003418

Name:
None

Formula:
C22H36O12N4

Smiles:
CCOC(=O)[C@H](N)CCCNC(N)=NO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCOC(=O)C(N)CCCNC(N)=NO.COC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 5 FractionCSP3: 0.73
AlogP: -1.42 Num_rotatable_bonds: 13
MolWt: 548.55 Num_heavy_atoms: 38
TPSA: 226.39 NumAromaticRings: 0

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
AD03111
Formula: C8H18O3N4

Smiles:
CCOC(=O)C(N)CCCNC(N)=NO
HBA: 7 RingCount: 0
HBD: 6 FractionCSP3: 0.75
AlogP: -1.05 Num_rotatable_bonds: 6
MolWt: 218.26 Num_heavy_atoms: 15
TPSA: 122.96 NumAromaticRings: 0

Sugarmoiety
SD00012

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