Glycoside
...
GD036681

Name:
None

Formula:
C28H30O7N3Cl

Smiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CNNc4ccc([N+](=O)[O-])cc4)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

Aglycone:
CCOc1ccc(Cc2ccccc2Cl)cc1.CNNc1ccc([N+](=O)[O-])cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.33
AlogP: 3.38 Num_rotatable_bonds: 10
MolWt: 544.0 Num_heavy_atoms: 38
TPSA: 146.35 NumAromaticRings: 3

Unique Aglycone
AD00288
Formula: C16H15OCl

Smiles:
CCOc1ccc(Cc2ccccc2Cl)cc1
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 4.33 Num_rotatable_bonds: 4
MolWt: 246.74 Num_heavy_atoms: 17
TPSA: 9.23 NumAromaticRings: 2
AD23133
Formula: C7H9O2N3

Smiles:
CNNc1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.14 Num_rotatable_bonds: 3
MolWt: 167.17 Num_heavy_atoms: 12
TPSA: 67.2 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O