Glycoside
GD144315
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 9-formyl-6-hydroxy-2-(hydroxymethyl)-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0²,¹¹.0â´,â¸]tridec-12-ene-1-carboxylateFormula:
C26H38O10Smiles:
CC(C)C1=CC2CC3(C=O)C4CC(O)C(C)C4CC2(CO)C13C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C1=CC2CC3(C=O)C4CC(O)C(C)C4CC2(CO)C13C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46443
Formula: C20H28O5
Smiles:
CC(C)C1=CC2CC3(C=O)C4CC(O)C(C)C4CC2(CO)C13C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
