Glycoside
GD115696
Name:
5-(acetyloxy)-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl acetateFormula:
C19H28O12Smiles:
CC(=O)OC1CC(C)(OC(C)=O)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12OAglycone:
CC(=O)OC1CC(C)(OC(C)=O)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 31 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45816
Formula: C13H18O7
Smiles:
CC(=O)OC1CC(C)(OC(C)=O)C2C(O)OC=CC12O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
