Glycoside
GD139286
Name:
4,5-dihydroxy-6-({21-hydroxy-22-methoxy-1,6,6,15,17,20,20-heptamethyl-19,23-dioxaheptacyclo[13.10.0.0²,¹².0âµ,¹â°.0¹â°,¹².0¹â¶,²â´.0¹â¸,²²]pentacosan-7-yl}oxy)oxan-3-yl acetateFormula:
C38H60O10Smiles:
COC12OC3CC4(C)C5CCC6C(C)(C)C(OC7OCC(OC(C)=O)C(O)C7O)CCC67CC57CCC4(C)C3C(C)C1OC(C)(C)C2OAglycone:
COC12OC3CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C3C(C)C1OC(C)(C)C2OSugarmoiety:
CC(=O)OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 676.89 | Num_heavy_atoms: | 48 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56166
Formula: C31H50O5
Smiles:
COC12OC3CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C3C(C)C1OC(C)(C)C2O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
