Glycoside
GD156120
Name:
jadomycin tfalFormula:
C32H31O10N2F3Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCN=C(O)C(F)(F)F)N1C1=C2C(=O)c2cccc(OC3CC(O)C(O)C(C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCN=C(O)C(F)(F)F)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.6 | Num_heavy_atoms: | 47 |
| TPSA: | 175.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD61855
Formula: C26H21O7N2F3
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(CCCCN=C(O)C(F)(F)F)N1C1=C2C(=O)c2cccc(O)c2C1=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.46 | Num_heavy_atoms: | 38 |
| TPSA: | 136.73 | NumAromaticRings: | 2 |
