Glycoside
GD033732
Name:
Bu-4794FFormula:
C45H58O16Smiles:
CCCC=CC=CC=CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@]3(OCc4cc(O)cc(O)c43)[C@H](O)[C@H]2OC(=O)C=CC=CC[C@H](O)C=CC=CC=CCCC)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCC=CC=CC=CC(=O)OC.CCCC=CC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 20 |
| MolWt: | 854.94 | Num_heavy_atoms: | 61 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD21508
Formula: C11H16O2
Smiles:
CCCC=CC=CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.25 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD21509
Formula: C29H36O10
Smiles:
CCCC=CC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 544.6 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
