Glycoside
GD151885
Name:
methyl 2-{2-[6-(furan-3-yl)-7-methyl-11-methylidene-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl]-2,6,6-trimethyl-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]cyclohex-3-en-1-yl}acetateFormula:
C39H54O16Smiles:
C=C1C(C2(C)C=CC(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132Aglycone:
C=C1C(C2(C)C=CC(O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 778.84 | Num_heavy_atoms: | 55 |
| TPSA: | 236.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD60529
Formula: C27H34O7
Smiles:
C=C1C(C2(C)C=CC(O)C(C)(C)C2CC(=O)OC)CCC2(C)C(c3ccoc3)OC(=O)C3OC132| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.56 | Num_heavy_atoms: | 34 |
| TPSA: | 98.5 | NumAromaticRings: | 1 |
