Glycoside
GD134713
Name:
Elloramycin EFormula:
C32H34O15Smiles:
COC(=O)c1c(OC2OC(C)C(OC)C(OC)C2OC)cc2cc3c(c(O)c2c1C)C(=O)C1(OC)C(=O)C=C(OC)C(=O)C1(O)C3=OAglycone:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(OC)C(=O)C=C(OC)C(=O)C1(O)C3=OSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.61 | Num_heavy_atoms: | 47 |
| TPSA: | 199.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD54491
Formula: C23H18O11
Smiles:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(OC)C(=O)C=C(OC)C(=O)C1(O)C3=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.39 | Num_heavy_atoms: | 34 |
| TPSA: | 173.73 | NumAromaticRings: | 2 |
