Glycoside
GD121389
Name:
Steffimycin DFormula:
C28H32O12Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)C(OC)C(C)(O)C3Aglycone:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.55 | Num_heavy_atoms: | 40 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD48858
Formula: C21H20O8
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 400.38 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
