Glycoside
GD151422
Name:
Jadomycin NleFormula:
C31H32O9Smiles:
CCCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(OC5CC(O)C(O)C(C)O5)cccc4C3=O)C12Aglycone:
CCCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)C12Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.59 | Num_heavy_atoms: | 40 |
| TPSA: | 139.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD60396
Formula: C25H22O6
Smiles:
CCCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 100.9 | NumAromaticRings: | 2 |
