Glycoside
GD141653
Name:
SteffimycinFormula:
C29H32O12Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(C)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)C(OC)C(C)(O)C3=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(C)c1C2=O)C(O)C(OC)C(C)(O)C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 178.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD57052
Formula: C22H20O8
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(C)c1C2=O)C(O)C(OC)C(C)(O)C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 412.39 | Num_heavy_atoms: | 30 |
| TPSA: | 130.36 | NumAromaticRings: | 2 |
