Glycoside
GD154418
Name:
1-{3a-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-11-(2-oxo-2-phenylethyl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl acetateFormula:
C44H64O13Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(CC(=O)c3ccccc3)C3(C)C(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(CC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 800.98 | Num_heavy_atoms: | 57 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD45028
Formula: C31H42O5
Smiles:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(CC(=O)c3ccccc3)C12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.67 | Num_heavy_atoms: | 36 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
