Glycoside
GD115245
Name:
kijanimicinFormula:
C67H102O24N2Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(OC7CC(O)C(O)C(C)O7)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C)C(CO)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])OAglycone:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C)C(CO)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])OSugarmoiety:
COC1C(O)CC(OC2C(C)OC(OC3CC(O)OC(C)C3O)CC2OC2CC(O)C(O)C(C)O2)OC1COther Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 1319.54 | Num_heavy_atoms: | 93 |
| TPSA: | 355.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45549
Formula: C42H60O12N2
Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C)C(CO)=CC4C=C2C)C3=O)CC1(C)[NH+]([O-])O| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 784.94 | Num_heavy_atoms: | 56 |
| TPSA: | 212.07 | NumAromaticRings: | 0 |
