Glycoside
...
GD158286

Name:
Neosordarin

Formula:
C36H50O11

Smiles:
COC1C(C)OC(OCC23CC4C(C)CCC4C4(C=O)CC2C=C(C(C)C)C43C(=O)O)C(O)C1OC(=O)C(C)=CC(=O)C=CC(C)O

Aglycone:
CC(=CC(=O)C=CC(C)O)C(=O)O.CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.72
AlogP: 3.41 Num_rotatable_bonds: 12
MolWt: 658.79 Num_heavy_atoms: 47
TPSA: 165.89 NumAromaticRings: 0

Unique Aglycone
AD00440
Formula: C20H28O4

Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.8
AlogP: 2.9 Num_rotatable_bonds: 4
MolWt: 332.44 Num_heavy_atoms: 24
TPSA: 74.6 NumAromaticRings: 0
AD62495
Formula: C9H12O4

Smiles:
CC(=CC(=O)C=CC(C)O)C(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.33
AlogP: 0.52 Num_rotatable_bonds: 4
MolWt: 184.19 Num_heavy_atoms: 13
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00158

COC1C(C)OC(O)C(O)C1O