Glycoside

GD123266
Name:
2-(hydroxymethyl)-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹â°.0â´,â¸.0¹³,¹â¸]icosa-2(10),3,8,13,15,17-hexaen-15-ylperoxy}oxane-3,4,5-triolFormula:
C22H22O11Smiles:
OCC1OC(OOc2ccc3c(c2)C2Oc4cc5c(cc4C2CO3)OCO5)C(O)C(O)C1OAglycone:
OOc1ccc2c(c1)C1Oc3cc4c(cc3C1CO2)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.45 |
AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
MolWt: | 462.41 | Num_heavy_atoms: | 33 |
TPSA: | 145.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD47742
Formula: C16H12O6
Smiles:
OOc1ccc2c(c1)C1Oc3cc4c(cc3C1CO2)OCO4HBA: | 6 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.25 |
AlogP: | 2.88 | Num_rotatable_bonds: | 1 |
MolWt: | 300.27 | Num_heavy_atoms: | 22 |
TPSA: | 66.38 | NumAromaticRings: | 2 |