Glycoside
GD145383
Name:
jadomycin tfal lactamFormula:
C32H31O11N2F3Smiles:
Cc1cc(O)c2c3c(n(C(CCCCN=C(O)C(F)(F)F)C(=O)O)c(=O)c2c1)C(=O)c1c(OC2CC(O)C(O)C(C)O2)cccc1C3=OAglycone:
Cc1cc(O)c2c3c(n(C(CCCCN=C(O)C(F)(F)F)C(=O)O)c(=O)c2c1)C(=O)c1c(O)cccc1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.6 | Num_heavy_atoms: | 48 |
| TPSA: | 205.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD58362
Formula: C26H21O8N2F3
Smiles:
Cc1cc(O)c2c3c(n(C(CCCCN=C(O)C(F)(F)F)C(=O)O)c(=O)c2c1)C(=O)c1c(O)cccc1C3=O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 546.45 | Num_heavy_atoms: | 39 |
| TPSA: | 166.49 | NumAromaticRings: | 3 |
