Glycoside
GD148850
Name:
methyl 2-(2,5-dimethoxy-2,5-dihydrofuran-3-yl)-6a,10b-dimethyl-4-oxo-6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C37H50O17Smiles:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(OC)OC4OC)OC(=O)C3CC(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C12CAglycone:
COC(=O)C1=CCCC2C3(C)CC(C4=CC(OC)OC4OC)OC(=O)C3CC(O)C12C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 766.79 | Num_heavy_atoms: | 54 |
| TPSA: | 203.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
