Glycoside
GD134459
Name:
5,7,7-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,6H,7H,8H-indeno[5,6-c]pyran-1,6-dioneFormula:
C21H26O9Smiles:
Cc1c2c(cc3c1C(=O)C(C)(C)C3OC1OC(CO)C(O)C(O)C1O)C(=O)OCC2Aglycone:
Cc1c2c(cc3c1C(=O)C(C)(C)C3O)C(=O)OCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD50644
Formula: C15H16O4
Smiles:
Cc1c2c(cc3c1C(=O)C(C)(C)C3O)C(=O)OCC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
