Glycoside
GD155682
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 8-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,6-dimethyloct-2-enoateFormula:
C30H48O15Smiles:
CC(=CCCC(C)CCOC1OC(CO)C(O)C1O)C(=O)OC1CC(C)(O)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12Aglycone:
CC(=CCCC(C)CCO)C(=O)OC1CC(C)(O)C2C(O)OC=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 13 |
| MolWt: | 648.7 | Num_heavy_atoms: | 45 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD61728
Formula: C19H30O6
Smiles:
CC(=CCCC(C)CCO)C(=O)OC1CC(C)(O)C2C(O)OC=CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.44 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
