Glycoside
GD115491
Name:
2-(hydroxymethyl)-6-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxane-3,4,5-triolFormula:
C33H50O8Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 574.76 | Num_heavy_atoms: | 41 |
| TPSA: | 117.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD13155
Formula: C27H40O3
Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 412.61 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
