Glycoside
GD021487
Name:
NoneFormula:
C40H58O19Smiles:
CCCCCC=CC=C[C@H](O)CC=CC=CC(=O)O[C@@H]1[C@H](O)[C@H](c2c(O)cc(O)cc2CO)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC=CC=CC(O)CC=CC=CC(=O)O.OCc1cc(O)cc(O)c1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 18 |
| MolWt: | 842.89 | Num_heavy_atoms: | 59 |
| TPSA: | 315.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00088
Formula: C16H24O3
Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD00090
Formula: C7H8O3
Smiles:
OCc1cc(O)cc(O)c1| 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 |
