Glycoside
GD009992
Name:
NoneFormula:
C35H44O7Smiles:
CCCCCCCO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O[C@@H](C=O)[C@H]1OCc1ccc(OC)cc1Aglycone:
CCCCCCCO.COc1ccc(CO)cc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
O=CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 6.66 | Num_rotatable_bonds: | 18 |
| MolWt: | 576.73 | Num_heavy_atoms: | 42 |
| TPSA: | 72.45 | NumAromaticRings: | 3 |
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 |
AD00336
Formula: C7H16O
Smiles:
CCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD00337
Formula: C8H10O2
Smiles:
COc1ccc(CO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
