Glycoside
GD140918
Name:
2-({7-hydroxy-6,9a-dimethyl-1-methylidene-1H,2H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-phenanthro[1,2-b]furan-6-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H40O8Smiles:
C=C1COC2C3=CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(O)CCC4(C)C3CCC12Aglycone:
C=C1COC2C3=CCC4C(C)(CO)C(O)CCC4(C)C3CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD56807
Formula: C20H30O3
Smiles:
C=C1COC2C3=CCC4C(C)(CO)C(O)CCC4(C)C3CCC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
