Glycoside
...
GD110983

Name:
None

Formula:
C27H25O9N

Smiles:
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2C)c1

Aglycone:
COc1cccc(C=O)c1.COc1cccc(C=O)c1.Cc1ccccc1N

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.19
AlogP: 3.49 Num_rotatable_bonds: 10
MolWt: 507.5 Num_heavy_atoms: 37
TPSA: 137.46 NumAromaticRings: 3

Unique Aglycone
AD11334
Formula: C7H9N

Smiles:
Cc1ccccc1N
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.58 Num_rotatable_bonds: 0
MolWt: 107.16 Num_heavy_atoms: 8
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