Glycoside
GD149855
Name:
methyl 6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C33H46O16Smiles:
COC(=O)C1=CCCC2C3(C)CC(c4ccoc4)OC(=O)C3CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C12CAglycone:
COC(=O)C1=CCCC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 698.72 | Num_heavy_atoms: | 49 |
| TPSA: | 244.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD10700
Formula: C21H26O6
Smiles:
COC(=O)C1=CCCC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
