Glycoside
GD149828
Name:
Elloramycin BFormula:
C30H32O15Smiles:
COC(=O)c1c(OC2OC(C)C(OC)C(OC)C2O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OAglycone:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OSugarmoiety:
COC1C(C)OC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.57 | Num_heavy_atoms: | 45 |
| TPSA: | 224.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD49798
Formula: C22H18O11
Smiles:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 187.89 | NumAromaticRings: | 2 |
