Glycoside
...
GD111834

Name:
None

Formula:
C28H27O9N

Smiles:
CCc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(OC)c1)[C@H](OC(=O)c1cccc(OC)c1)C(=O)O

Aglycone:
CCc1ccccc1N.COc1cccc(C=O)c1.COc1cccc(C=O)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 3.74 Num_rotatable_bonds: 11
MolWt: 521.52 Num_heavy_atoms: 38
TPSA: 137.46 NumAromaticRings: 3

Unique Aglycone
AD15970
Formula: C8H11N

Smiles:
CCc1ccccc1N
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 121.18 Num_heavy_atoms: 9
TPSA: 26.02 NumAromaticRings: 1
AD44013
Formula: C8H8O2

Smiles:
COc1cccc(C=O)c1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00296

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