Glycoside
...
GD017917

Name:
None

Formula:
C42H48O10N2

Smiles:
COC(=O)C(Cc1ccccc1)N(C)C(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)OC

Aglycone:
CNC(Cc1ccccc1)C(=O)OC.CNC(Cc1ccccc1)C(=O)OC.Cc1ccccc1.Cc1ccccc1

Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 2 FractionCSP3: 0.33
AlogP: 3.36 Num_rotatable_bonds: 19
MolWt: 740.85 Num_heavy_atoms: 54
TPSA: 152.14 NumAromaticRings: 4

Unique Aglycone
AD00274
Formula: C7H8

Smiles:
Cc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 92.14 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1
AD12728
Formula: C11H15O2N

Smiles:
CNC(Cc1ccccc1)C(=O)OC
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.36
AlogP: 0.99 Num_rotatable_bonds: 4
MolWt: 193.25 Num_heavy_atoms: 14
TPSA: 38.33 NumAromaticRings: 1

Sugarmoiety
SD00110

O=C(O)C(O)C(O)C(O)C(O)C(=O)O