Glycoside
GD009509
Name:
DIPROLEANDOMYCINFormula:
C41H69O14NSmiles:
CCC(=O)O[C@@H]1[C@H](C)C(=O)[C@]2(CO2)C[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@@H]2C[C@@H](OC)[C@H](OC(=O)CC)[C@H](C)O2)[C@H](C)C(=O)O[C@H](C)[C@@H]1CAglycone:
CCC(=O)O.CCC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(C)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 800.0 | Num_heavy_atoms: | 56 |
| TPSA: | 178.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD07452
Formula: C31H53O10N
Smiles:
CCC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(C)C1C| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 599.76 | Num_heavy_atoms: | 42 |
| TPSA: | 144.36 | NumAromaticRings: | 0 |
