Glycoside
GD032283
Name:
NoneFormula:
C52H54O10Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]2C(COCc3ccccc3)=CC[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(COCc3ccccc3)=CCC12.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 8.89 | Num_rotatable_bonds: | 20 |
| MolWt: | 838.99 | Num_heavy_atoms: | 62 |
| TPSA: | 100.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
AD20714
Formula: C18H20O5
Smiles:
COC(=O)C1=COC(O)C2C(COCc3ccccc3)=CCC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
