Glycoside
GD018762
Name:
AMRUBICIN HYDROCHLORIDEFormula:
C25H25O9NSmiles:
CC(=O)[C@@]1(N)Cc2c(O)c3c(c(O)c2[C@H](O[C@@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=OAglycone:
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=OSugarmoiety:
OC1CC(O)C(O)CO1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 483.47 | Num_heavy_atoms: | 35 |
| TPSA: | 176.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD13171
Formula: C20H17O6N
Smiles:
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 367.36 | Num_heavy_atoms: | 27 |
| TPSA: | 137.92 | NumAromaticRings: | 2 |
