Glycoside
GD135757
Name:
7-methyl-3-oxo-octahydrocyclopenta[c]pyran-6-yl 4-[2-(acetyloxy)ethyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H38O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOC(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 570.59 | Num_heavy_atoms: | 40 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46068
Formula: C21H28O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOC(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 108.36 | NumAromaticRings: | 0 |
