Glycoside
GD004789
Name:
NoneFormula:
C26H34O6Smiles:
CO[C@@H]1O[C@H](COc2ccc3c(c2)CCCC3)[C@H](O)[C@H](O)[C@H]1Oc1cccc(C(C)C)c1Aglycone:
CC(C)c1cccc(O)c1.COc1ccc2c(c1)CCCC2Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD04139
Formula: C9H12O
Smiles:
CC(C)c1cccc(O)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD04140
Formula: C11H14O
Smiles:
COc1ccc2c(c1)CCCC2| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.23 | Num_heavy_atoms: | 12 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
