Glycoside
GD146066
Name:
8-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docos-10-ene-7,14-diolFormula:
C42H66O15Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC6C(CCC78COC9(C)OCC(OC67O)C98)C5(C)CC4O)CC3OC)CC2OC)OC(C)C1OAglycone:
CC12OCC3OC4(O)C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 810.98 | Num_heavy_atoms: | 57 |
| TPSA: | 171.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD57083
Formula: C21H30O6
Smiles:
CC12OCC3OC4(O)C5CC=C6CC(O)C(O)CC6(C)C5CCC4(CO1)C32| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 378.47 | Num_heavy_atoms: | 27 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
