Glycoside
...
GD113928

Name:
None

Formula:
C30H36O10N2

Smiles:
CCC(=O)OC[C@H]1O[C@@H](Oc2ccc(/N=N\c3ccccc3)cc2)[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC

Aglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)OC.Oc1ccc(N=Nc2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.47
AlogP: 5.12 Num_rotatable_bonds: 13
MolWt: 584.62 Num_heavy_atoms: 42
TPSA: 148.38 NumAromaticRings: 2

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD04957
Formula: C4H8O2

Smiles:
CCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.57 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0
AD44839
Formula: C12H10ON2

Smiles:
Oc1ccc(N=Nc2ccccc2)cc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 3.81 Num_rotatable_bonds: 2
MolWt: 198.23 Num_heavy_atoms: 15
TPSA: 44.95 NumAromaticRings: 2

Sugarmoiety
SD01013

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