Glycoside
...
GD010542

Name:
None

Formula:
C41H40O6N2

Smiles:
COc1ccc(O[C@H](c2cnn(C)c2)[C@H](Oc2ccc(OC)cc2)[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

Aglycone:
COc1ccccc1.COc1ccccc1.Cn1cccn1.c1ccc(C(c2ccccc2)c2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 1 FractionCSP3: 0.2
AlogP: 7.37 Num_rotatable_bonds: 15
MolWt: 656.78 Num_heavy_atoms: 49
TPSA: 84.2 NumAromaticRings: 6

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
AD08129
Formula: C4H6N2

Smiles:
Cn1cccn1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 0.42 Num_rotatable_bonds: 0
MolWt: 82.11 Num_heavy_atoms: 6
TPSA: 17.82 NumAromaticRings: 1

Sugarmoiety
SD01477

COO.OOCC(O)OC(O)OO