Glycoside
GD004079
Name:
STEFFIMYCINFormula:
C28H30O13Smiles:
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@H](OC)[C@@](C)(O)C3=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 574.54 | Num_heavy_atoms: | 41 |
| TPSA: | 198.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD01033
Formula: C21H18O9
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 150.59 | NumAromaticRings: | 2 |
