Glycoside
GD121745
Name:
methyl 1-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(OC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C2C1CCC2(C)OAglycone:
COC(=O)C1=COC(O)C2C1CCC2(C)O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | 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 |
