Glycoside
GD121302
Name:
Mycinamicin XiiFormula:
C36H59O13NSmiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)CCC(C)C(=O)C=CC2OC2C1(O)COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)CCC(C)C(=O)C=CC2OC2C1(O)COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 713.86 | Num_heavy_atoms: | 50 |
| TPSA: | 175.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48819
Formula: C28H45O9N
Smiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)CCC(C)C(=O)C=CC2OC2C1(O)CO| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 539.67 | Num_heavy_atoms: | 38 |
| TPSA: | 138.29 | NumAromaticRings: | 0 |
