Glycoside
GD141206
Name:
methyl 2-[4-(acetyloxy)-3-hydroxy-2,5-dimethoxyoxolan-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:
C39H54O20Smiles:
COC(=O)C1=CCCC2C3(C)CC(C4(O)C(OC)OC(OC)C4OC(C)=O)OC(=O)C3CC(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C12CAglycone:
COC(=O)C1=CCCC2C3(C)CCOC(=O)C3CC(O)C12C.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COC1OC(OC)C(O)(O)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 842.84 | Num_heavy_atoms: | 59 |
| TPSA: | 250.48 | 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 |
AD48679
Formula: C17H24O5
Smiles:
COC(=O)C1=CCCC2C3(C)CCOC(=O)C3CC(O)C12C| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 308.37 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
