Glycoside
...
GD123000

Name:
Chondrochloren A

Formula:
C28H40O7NCl

Smiles:
CCCCC(C)C(O)C(C)C(=O)C(C)=CC(OC)C(O)C(OC)C(O)=NC=Cc1ccc(O)c(Cl)c1

Aglycone:
C=C(C)C(=O)C(C)C(O)C(C)CCCC.NC=Cc1ccc(O)c(Cl)c1

Sugarmoiety:
COC(O)C(O)C(OC)C(=O)O

Other Identifiers

Properties
HBA: 8 RingCount: 1
HBD: 4 FractionCSP3: 0.56
AlogP: 4.7 Num_rotatable_bonds: 15
MolWt: 526.07 Num_heavy_atoms: 36
TPSA: 128.81 NumAromaticRings: 1

Unique Aglycone
AD46253
Formula: C13H24O2

Smiles:
C=C(C)C(=O)C(C)C(O)C(C)CCCC
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.77
AlogP: 2.95 Num_rotatable_bonds: 7
MolWt: 212.33 Num_heavy_atoms: 15
TPSA: 37.3 NumAromaticRings: 0
AD46254
Formula: C9H8ONCl

Smiles:
NC=Cc1ccc(O)c(Cl)c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.97 Num_rotatable_bonds: 1
MolWt: 169.61 Num_heavy_atoms: 11
TPSA: 46.25 NumAromaticRings: 1

Sugarmoiety
SD06074

COC(O)C(O)C(OC)C(=O)O