Glycoside

GD158125
Name:
2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy]oxane-3,4,5-triolFormula:
C33H52O9Smiles:
CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.94 |
AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
MolWt: | 592.77 | Num_heavy_atoms: | 42 |
TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD04584
Formula: C27H42O4
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2HBA: | 4 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.93 |
AlogP: | 4.69 | Num_rotatable_bonds: | 1 |
MolWt: | 430.63 | Num_heavy_atoms: | 31 |
TPSA: | 58.92 | NumAromaticRings: | 0 |