Glycoside
GD135037
Name:
4'-Acetylchrysomycin BFormula:
C29H30O10Smiles:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(C3OC(C)C(OC(C)=O)C(C)(O)C3O)ccc(O)c12Aglycone:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2cccc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 538.55 | Num_heavy_atoms: | 39 |
| TPSA: | 144.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD02062
Formula: C20H16O5
Smiles:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2cccc(O)c12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.34 | Num_heavy_atoms: | 25 |
| TPSA: | 68.9 | NumAromaticRings: | 4 |
