Glycoside
GD128108
Name:
Elloramycin FFormula:
C32H36O16Smiles:
COC(=O)c1c(OC2OC(C)C(OC)C(OC)C2OC)cc2c(O)c3c(c(O)c2c1C)C(=O)C1(OC)C(=O)C=C(OC)C(O)C1(O)C3=OAglycone:
COC(=O)c1c(O)cc2c(O)c3c(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: | 16 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 676.62 | Num_heavy_atoms: | 48 |
| TPSA: | 223.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD51893
Formula: C23H20O12
Smiles:
COC(=O)c1c(O)cc2c(O)c3c(c(O)c2c1C)C(=O)C1(OC)C(=O)C=C(OC)C(O)C1(O)C3=O| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.4 | Num_heavy_atoms: | 35 |
| TPSA: | 197.12 | NumAromaticRings: | 2 |
