Glycoside
GD024822
Name:
NoneFormula:
C46H72O21NSmiles:
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(=O)c1ccc(OC)c(OC)c1Aglycone:
COC(=O)CCCCCCCCO.COc1ccc(C(N)=O)cc1OC.O=C([O-])C(O)CC1CCCCC1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 25 |
| MolWt: | 975.07 | Num_heavy_atoms: | 68 |
| TPSA: | 320.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00488
Formula: C9H15O3
Smiles:
O=C([O-])C(O)CC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.22 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
AD00933
Formula: C10H20O3
Smiles:
COC(=O)CCCCCCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD00934
Formula: C9H11O3N
Smiles:
COc1ccc(C(N)=O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
