Glycoside
GD145853
Name:
4,5-dihydroxy-2-[(5-hydroxy-6-methyl-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-16'-oloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxan-3-yl acetateFormula:
C46H72O17Smiles:
CC(=O)OC1C(OC2C(OC3CC(O)CC4=CCC5C6CC7OC8(CCC(C)CO8)C(C)C7C6(C)CCC5C43C)OC(C)C(O)C2OC2OCC(O)C(O)C2O)OC(C)C(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC(=O)OC1C(OC2C(O)OC(C)C(O)C2OC2OCC(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 897.07 | Num_heavy_atoms: | 63 |
| TPSA: | 241.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD06417
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
