Glycoside
...
GD112700

Name:
None

Formula:
C29H21O9NCl2

Smiles:
CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)c1

Aglycone:
CCOC(=O)c1cccc(N)c1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.15
AlogP: 4.64 Num_rotatable_bonds: 10
MolWt: 574.37 Num_heavy_atoms: 39
TPSA: 145.3 NumAromaticRings: 3

Unique Aglycone
AD40392
Formula: C8H5OCl

Smiles:
O=Cc1ccc(Cl)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 2.15 Num_rotatable_bonds: 1
MolWt: 140.57 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1
AD44677
Formula: C9H11O2N

Smiles:
CCOC(=O)c1cccc(N)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00296

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