Glycoside
GD119544
Name:
6-[9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-3-en-2-yl acetateFormula:
C34H54O8Smiles:
CC(=O)OC(C)(C)C=CCC(C)C1CCC2C3CC=C4CC(OC5OCC(O)C(O)C5O)CCC4(CO)C3CCC12CAglycone:
CC(=O)OC(C)(C)C=CCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47916
Formula: C29H46O4
Smiles:
CC(=O)OC(C)(C)C=CCC(C)C1CCC2C3CC=C4CC(O)CCC4(CO)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
