Glycoside
...
GD027073

Name:
None

Formula:
C27H27O6N2ClS

Smiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](C=NNC(=O)c4ccsc4)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

Aglycone:
C=NNC(=O)c1ccsc1.CCOc1ccc(Cc2ccccc2Cl)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.31
AlogP: 3.33 Num_rotatable_bonds: 8
MolWt: 531.03 Num_heavy_atoms: 36
TPSA: 120.61 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
AD17819
Formula: C6H6ON2S

Smiles:
C=NNC(=O)c1ccsc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 2
MolWt: 154.19 Num_heavy_atoms: 10
TPSA: 41.46 NumAromaticRings: 1

Sugarmoiety
SD00017

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