Glycoside
GD115654
Name:
methyl 2-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C27H36O13Smiles:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(O)OC4=O)OC(=O)C3CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(O)OC4=O)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD45790
Formula: C21H26O8
Smiles:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(O)OC4=O)OC(=O)C3CC(O)C12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
