Glycoside
GD023491
Name:
NoneFormula:
C45H54O7Smiles:
CO[C@@H]1O[C@H](COc2ccc(C3CCCCC3)cc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1Oc1ccc(OC2CCCCC2)cc1Aglycone:
COc1ccc(C2CCCCC2)cc1.OCc1ccccc1.OCc1ccccc1.Oc1ccc(OC2CCCCC2)cc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 9.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 706.92 | Num_heavy_atoms: | 52 |
| TPSA: | 64.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00645
Formula: C12H16O2
Smiles:
Oc1ccc(OC2CCCCC2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.26 | Num_heavy_atoms: | 14 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD05441
Formula: C13H18O
Smiles:
COc1ccc(C2CCCCC2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.29 | Num_heavy_atoms: | 14 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
