Glycoside
GD113143
Name:
NoneFormula:
C39H59O11N2ISmiles:
CC(C)(C)NC(=O)[C@H](c1cccc(I)c1)N(C=O)[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)CAglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)NC(=O)C(NC=O)c1cccc(I)c1.COC(=O)C(C)(C)CSugarmoiety:
OCC1C(O)OC(O)OC1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 858.81 | Num_heavy_atoms: | 53 |
| TPSA: | 163.84 | 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 |
AD44803
Formula: C13H17O2N2I
Smiles:
CC(C)(C)NC(=O)C(NC=O)c1cccc(I)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.19 | Num_heavy_atoms: | 18 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
