Glycoside
GD145231
Name:
methyl 2-(2,5-dimethoxy-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:
C29H42O13Smiles:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(OC)OC4OC)OC(=O)C3CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(OC)OC4OC)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.64 | Num_heavy_atoms: | 42 |
| TPSA: | 179.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD58309
Formula: C23H32O8
Smiles:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(OC)OC4OC)OC(=O)C3CC(O)C12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.5 | Num_heavy_atoms: | 31 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
