Glycoside
GD009489
Name:
NoneFormula:
C44H62O10Smiles:
C[C@@H]1O[C@H](O[C@H](C)CCCCCOC(=O)C[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)[C@H](OCc2ccccc2)C[C@H]1OCc1ccccc1Aglycone:
CC(O)CCCCCOC(=O)CC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | 8.44 | Num_rotatable_bonds: | 16 |
| MolWt: | 750.97 | Num_heavy_atoms: | 54 |
| TPSA: | 100.14 | NumAromaticRings: | 2 |
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 |
AD07435
Formula: C24H40O7
Smiles:
CC(O)CCCCCOC(=O)CC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.58 | Num_heavy_atoms: | 31 |
| TPSA: | 83.45 | NumAromaticRings: | 0 |
