Glycoside
GD139479
Name:
2-[(5-{[1-(5-ethyl-6-methylhept-6-en-2-yl)-9a,11a-dimethyl-3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H64O10Smiles:
C=C(C)C(CC)CCC(C)C1=CCC2C3=CCC4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
C=C(C)C(CC)CCC(C)C1=CCC2C3=CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 704.94 | Num_heavy_atoms: | 50 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD56242
Formula: C29H46O
Smiles:
C=C(C)C(CC)CCC(C)C1=CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.69 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
