Glycoside
GD122142
Name:
6-[(cyclopent-2-ene-1-carbonyloxy)methyl]-4,5-dihydroxy-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-3-yl cyclopent-2-ene-1-carboxylateFormula:
C25H30O10Smiles:
O=C(OCC1OC(Oc2ccc(O)cc2CO)C(OC(=O)C2C=CCC2)C(O)C1O)C1C=CCC1Aglycone:
COC(=O)C1C=CCC1.O=C(O)C1C=CCC1.OCc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.51 | Num_heavy_atoms: | 35 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00674
Formula: C7H8O3
Smiles:
OCc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD45978
Formula: C7H10O2
Smiles:
COC(=O)C1C=CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.15 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD45979
Formula: C6H8O2
Smiles:
O=C(O)C1C=CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
