Glycoside
...
GD037512

Name:
None

Formula:
C25H21O7NCl2S

Smiles:
O=C(O)c1ccc2ccc(CO[C@H]3[C@H](O)[C@@H](Sc4ccc(Cl)c(Cl)c4)O[C@@H](CO)[C@H]3O)nc2c1

Aglycone:
O=C(O)c1ccc2ccc(CO)nc2c1.Sc1ccc(Cl)c(Cl)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.3
AlogP: 3.36 Num_rotatable_bonds: 7
MolWt: 526.39 Num_heavy_atoms: 34
TPSA: 129.34 NumAromaticRings: 3

Unique Aglycone
AD18417
Formula: C8H4Cl2S

Smiles:
Sc1ccc(Cl)c(Cl)c1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 3.28 Num_rotatable_bonds: 0
MolWt: 179.07 Num_heavy_atoms: 9
TPSA: 0.0 NumAromaticRings: 1
AD23237
Formula: C11H9O3N

Smiles:
O=C(O)c1ccc2ccc(CO)nc2c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 1.43 Num_rotatable_bonds: 2
MolWt: 203.2 Num_heavy_atoms: 15
TPSA: 70.42 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O