Glycoside
GD152454
Name:
methyl 5-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C23H36O15Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(C)CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(C)CC(O)C12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -4.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 38 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01536
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C(C)CC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
