Glycoside
...
GD111811

Name:
None

Formula:
C28H27O10N

Smiles:
CCOc1ccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)O)cc1

Aglycone:
CCOc1ccc(N)cc1.COc1cccc(C=O)c1.COc1cccc(C=O)c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 3.58 Num_rotatable_bonds: 12
MolWt: 537.52 Num_heavy_atoms: 39
TPSA: 146.69 NumAromaticRings: 3

Unique Aglycone
AD25258
Formula: C8H11ON

Smiles:
CCOc1ccc(N)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.67 Num_rotatable_bonds: 2
MolWt: 137.18 Num_heavy_atoms: 10
TPSA: 35.25 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