Glycoside
...
GD032399

Name:
None

Formula:
C43H45O13N

Smiles:
COC1C(COC(=O)CCC(=O)OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Aglycone:
COC(=O)CCC(=O)OCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
COC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 3 FractionCSP3: 0.35
AlogP: 4.75 Num_rotatable_bonds: 18
MolWt: 783.83 Num_heavy_atoms: 57
TPSA: 185.38 NumAromaticRings: 4

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD08578
Formula: C23H23O8N

Smiles:
COC(=O)CCC(=O)OCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
HBA: 9 RingCount: 3
HBD: 2 FractionCSP3: 0.3
AlogP: 2.47 Num_rotatable_bonds: 9
MolWt: 441.44 Num_heavy_atoms: 32
TPSA: 128.23 NumAromaticRings: 2

Sugarmoiety
SD00685

COC1C(O)OC(O)C(O)C1O