Glycoside
GD117668
Name:
Elloramycin CFormula:
C31H34O15Smiles:
COC(=O)c1c(OC2OC(C)C(OC)C(O)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)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.6 | Num_heavy_atoms: | 46 |
| TPSA: | 213.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD21060
Formula: C23H20O11
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: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 472.4 | Num_heavy_atoms: | 34 |
| TPSA: | 176.89 | NumAromaticRings: | 2 |
