Glycoside
GD032929
Name:
ELLORAMYCINFormula:
C32H36O15Smiles:
COC(=O)c1c(O[C@@H]2O[C@H](C)[C@H](OC)[C@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(OC)C(=O)C=C(OC)[C@H](O)[C@@]1(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: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.63 | Num_heavy_atoms: | 47 |
| TPSA: | 202.81 | 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 |
