Glycoside
GD137212
Name:
4-({[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-6,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C25H38O13Smiles:
CC(=O)OC1C(OCC2=COC(OC(=O)CC(C)C)C3C2CC(O)C3(C)O)OC(CO)C(O)C1OC(C)=OAglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(C)(O)C12Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.57 | Num_heavy_atoms: | 38 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD53520
Formula: C15H24O6
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(O)C(C)(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
