Glycoside

GD115366
Name:
PendulinFormula:
C24H26O12Smiles:
COc1cc2oc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)c(OC)c(=O)c2c(O)c1OCAglycone:
COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.38 |
AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
MolWt: | 506.46 | Num_heavy_atoms: | 36 |
TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD45624
Formula: C18H16O7
Smiles:
COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OCHBA: | 7 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.17 |
AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
MolWt: | 344.32 | Num_heavy_atoms: | 25 |
TPSA: | 98.36 | NumAromaticRings: | 3 |