Glycoside
GD135032
Name:
Atramycin BFormula:
C25H24O8Smiles:
CC1CC(=O)c2c(ccc3c2C(=O)c2cccc(OC4OC(C)C(O)C(O)C4O)c2C3=O)C1Aglycone:
CC1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 452.46 | Num_heavy_atoms: | 33 |
| TPSA: | 130.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD54617
Formula: C19H14O4
Smiles:
CC1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 306.32 | Num_heavy_atoms: | 23 |
| TPSA: | 71.44 | NumAromaticRings: | 2 |
