Glycoside
GD031016
Name:
GAMITHROMYCINFormula:
C40H76O12N2Smiles:
CCCN1C[C@H](C)[C@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H]1CAglycone:
CCCN1CC(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 777.05 | Num_heavy_atoms: | 54 |
| TPSA: | 180.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD20031
Formula: C32H62O9N2
Smiles:
CCCN1CC(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC1C| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.85 | Num_heavy_atoms: | 43 |
| TPSA: | 152.39 | NumAromaticRings: | 0 |
