Glycoside
GD145766
Name:
methyl 1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl]oxy}-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccccc2)C2C1CCC2(C)OAglycone:
COC(=O)C1=COC(O)C2C1CCC2(C)O.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD16262
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C1CCC2(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
