Glycoside
GD119795
Name:
Mycinamicin XiiiFormula:
C36H59O13NSmiles:
COC1C(OCC2(O)C(C)OC(=O)C=CC(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)CC(C)C(=O)C=CC3OC32)OC(C)C(O)C1OCAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(O)(CO)C3OC3C=CC(=O)C(C)CC2C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 713.86 | Num_heavy_atoms: | 50 |
| TPSA: | 175.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48054
Formula: C28H45O9N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C=CC(=O)OC(C)C(O)(CO)C3OC3C=CC(=O)C(C)CC2C)O1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 539.67 | Num_heavy_atoms: | 38 |
| TPSA: | 138.29 | NumAromaticRings: | 0 |
