Glycoside
...
GD009540

Name:
None

Formula:
C48H41O6N2Cl

Smiles:
COc1ccc(O[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)[C@H](Oc2ccc(OC)cc2)[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

Aglycone:
COc1ccccc1.COc1ccccc1.Clc1ccc(-c2ncccn2)cc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1

Sugarmoiety:
COO.OOCC(O)OC(O)OO

Other Identifiers

Properties
HBA: 8 RingCount: 7
HBD: 1 FractionCSP3: 0.15
AlogP: 9.75 Num_rotatable_bonds: 16
MolWt: 765.31 Num_heavy_atoms: 56
TPSA: 92.16 NumAromaticRings: 7

Unique Aglycone
AD00247
Formula: C7H8O

Smiles:
COc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 9.23 NumAromaticRings: 1
AD00424
Formula: C19H16

Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1
HBA: 0 RingCount: 3
HBD: 0 FractionCSP3: 0.05
AlogP: 4.87 Num_rotatable_bonds: 3
MolWt: 244.34 Num_heavy_atoms: 19
TPSA: 0.0 NumAromaticRings: 3
AD07471
Formula: C11H7N2Cl

Smiles:
Clc1ccc(-c2ncccn2)cc1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.8 Num_rotatable_bonds: 1
MolWt: 190.63 Num_heavy_atoms: 13
TPSA: 25.78 NumAromaticRings: 2

Sugarmoiety
SD01477

COO.OOCC(O)OC(O)OO