Glycoside
GD124217
Name:
4-(furan-3-yl)-13-hydroxy-7,16-dimethyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,10-dioxatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadecane-6,11-dioneFormula:
C26H34O12Smiles:
CC12CC3OC(=O)C4(OC5OC(CO)C(O)C(O)C5O)C(O)CCC(C1CC(c1ccoc1)OC2=O)C34CAglycone:
CC12CC3OC(=O)C4(O)C(O)CCC(C1CC(c1ccoc1)OC2=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD50169
Formula: C20H24O7
Smiles:
CC12CC3OC(=O)C4(O)C(O)CCC(C1CC(c1ccoc1)OC2=O)C34C| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
