Glycoside
GD151673
Name:
2-({16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-5-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C33H52O9Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(COC1OC(CO)C(O)C(O)C1O)O2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD23635
Formula: C27H42O4
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
