Glycoside
GD141894
Name:
anthrachamycinFormula:
C31H32O15Smiles:
Cc1cc(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=OAglycone:
Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 644.58 | Num_heavy_atoms: | 46 |
| TPSA: | 253.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD01660
Formula: C19H12O5
Smiles:
Cc1cc(O)c2c3c(c(O)cc2c1)C(=O)c1c(O)cccc1C3=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 320.3 | Num_heavy_atoms: | 24 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
