Glycoside
GD147399
Name:
9a-formyl-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-5a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,5aH,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetateFormula:
C32H42O12Smiles:
CC(=O)OC1(c2ccc(=O)oc2)CCC2(O)C3CCC4(OC5OC(CO)C(O)C(O)C5O)C=CCCC4(C=O)C3CCC12CAglycone:
CC(=O)OC1(c2ccc(=O)oc2)CCC2(O)C3CCC4(O)C=CCCC4(C=O)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.68 | Num_heavy_atoms: | 44 |
| TPSA: | 193.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD59033
Formula: C26H32O7
Smiles:
CC(=O)OC1(c2ccc(=O)oc2)CCC2(O)C3CCC4(O)C=CCCC4(C=O)C3CCC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 456.54 | Num_heavy_atoms: | 33 |
| TPSA: | 114.04 | NumAromaticRings: | 1 |
