Glycoside
...
GD113959

Name:
None

Formula:
C33H48O11N2

Smiles:
CC(C)(C)C(=O)OC[C@@H]1O[C@H](/N=C/c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=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.N=Cc1ccc([N+](=O)[O-])cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 0 FractionCSP3: 0.67
AlogP: 5.2 Num_rotatable_bonds: 8
MolWt: 648.75 Num_heavy_atoms: 46
TPSA: 169.93 NumAromaticRings: 1

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
AD44842
Formula: C7H6O2N2

Smiles:
N=Cc1ccc([N+](=O)[O-])cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.59 Num_rotatable_bonds: 2
MolWt: 150.14 Num_heavy_atoms: 11
TPSA: 66.99 NumAromaticRings: 1

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1