Glycoside
...
GD031537

Name:
None

Formula:
C29H28O5N3ClS

Smiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](C=NNc4nc5ccccc5s4)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

Aglycone:
C=NNc1nc2ccccc2s1.CCOc1ccc(Cc2ccccc2Cl)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.29
AlogP: 4.56 Num_rotatable_bonds: 8
MolWt: 554.07 Num_heavy_atoms: 38
TPSA: 116.43 NumAromaticRings: 4

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
AD20309
Formula: C8H7N3S

Smiles:
C=NNc1nc2ccccc2s1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.32 Num_rotatable_bonds: 2
MolWt: 177.23 Num_heavy_atoms: 12
TPSA: 37.28 NumAromaticRings: 2

Sugarmoiety
SD00017

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