Glycoside
GD116846
Name:
2-{[1-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-9a-methyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H54O6Smiles:
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21)CCAglycone:
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21)CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.8 | Num_heavy_atoms: | 40 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD46485
Formula: C28H44O
Smiles:
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21)CC| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.66 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
