Glycoside
GD119172
Name:
15-Deoxy-15-OxolankamycinFormula:
C42H70O16Smiles:
COC1CC(C)OC(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(C)=O)C(C)C(C(C)C(C)=O)OC(=O)C(C)C(OC3CC(C)(OC)C(OC(C)=O)C(C)O3)C2C)C1OAglycone:
CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)=O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OC(C)=O.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 831.01 | Num_heavy_atoms: | 58 |
| TPSA: | 208.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD47705
Formula: C25H42O9
Smiles:
CC(=O)OC1C(C)C(=O)C(C)(O)CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C(C)C(C)=O)C1C| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 486.6 | Num_heavy_atoms: | 34 |
| TPSA: | 147.43 | NumAromaticRings: | 0 |
