Glycoside
...
GD018190

Name:
None

Formula:
C26H43O9N3

Smiles:
CC(C)(C)C(=O)OCC1OC(N=[N+]=[N-])C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

Aglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.COC(=O)C(C)(C)C

Sugarmoiety:
[N-]=[N+]=NC1OC(CO)OC(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 0 FractionCSP3: 0.85
AlogP: 4.48 Num_rotatable_bonds: 6
MolWt: 541.64 Num_heavy_atoms: 38
TPSA: 163.19 NumAromaticRings: 0

Unique Aglycone
AD03091
Formula: C5H10O2

Smiles:
CC(C)(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 0
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD03093
Formula: C6H12O2

Smiles:
COC(=O)C(C)(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.21 Num_rotatable_bonds: 0
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD02194

[N-]=[N+]=NC1OC(CO)OC(O)C1O