Glycoside
GD113967
Name:
NoneFormula:
C34H51O11NSmiles:
COc1ccc(/C=N\[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]2OC(=O)C(C)(C)C)cc1OAglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.COC(=O)C(C)(C)C.COc1ccc(C=N)cc1OSugarmoiety:
OCC1OC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 649.78 | Num_heavy_atoms: | 46 |
| TPSA: | 156.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03093
Formula: C6H12O2
Smiles:
COC(=O)C(C)(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44844
Formula: C8H9O2N
Smiles:
COc1ccc(C=N)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 53.31 | NumAromaticRings: | 1 |
