Glycoside
GD135335
Name:
6-deoxy-d-glucosyl-jadomycin aFormula:
C31H33O10NSmiles:
CCC(C)CC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(OC5OC(C)C(O)C(O)C5O)cccc4C3=O)N12Aglycone:
CCC(C)CC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 579.6 | Num_heavy_atoms: | 42 |
| TPSA: | 163.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD54727
Formula: C25H23O6N
Smiles:
CCC(C)CC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 433.46 | Num_heavy_atoms: | 32 |
| TPSA: | 104.14 | NumAromaticRings: | 2 |
