Glycoside
GD108566
Name:
8-Demethoxy-Steffimycin DFormula:
C27H30O11Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1OC)C[C@](C)(O)C3Aglycone:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.53 | Num_heavy_atoms: | 38 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD44447
Formula: C20H18O7
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 124.29 | NumAromaticRings: | 2 |
