Glycoside
...
GD110708

Name:
None

Formula:
C28H24O8N2

Smiles:
O=C(O[C@@H](C(=O)NCc1ccco1)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccco1)c1ccccc1

Aglycone:
NCc1ccco1.NCc1ccco1.O=Cc1ccccc1.O=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.14
AlogP: 3.26 Num_rotatable_bonds: 11
MolWt: 516.51 Num_heavy_atoms: 38
TPSA: 137.08 NumAromaticRings: 4

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD12423
Formula: C5H7ON

Smiles:
NCc1ccco1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 0.74 Num_rotatable_bonds: 1
MolWt: 97.12 Num_heavy_atoms: 7
TPSA: 39.16 NumAromaticRings: 1

Sugarmoiety
SD00296

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