Glycoside
GD122312
Name:
3a,5,5a-trihydroxy-9a,11a-dimethyl-1-{1-[5-methyl-6-oxo-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,6-dihydro-2H-pyran-2-yl]ethyl}-9-oxo-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl acetateFormula:
C36H50O14Smiles:
CC(=O)OC1C=C(C(C)C2CC(COC3OC(CO)C(O)C(O)C3O)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C12OAglycone:
CC(=O)OC1C=C(C(C)C2CC(CO)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 706.78 | Num_heavy_atoms: | 50 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD49274
Formula: C30H40O9
Smiles:
CC(=O)OC1C=C(C(C)C2CC(CO)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C12O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.64 | Num_heavy_atoms: | 39 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
