Glycoside
GD004288
Name:
MEGALOMICIN POTASSIUM PHOSPHATEFormula:
C44H80O15N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(O)[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@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(C)C(O)C1(C)OSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 9 |
| MolWt: | 877.12 | Num_heavy_atoms: | 61 |
| TPSA: | 226.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD03764
Formula: C37H68O12N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC2CC(N(C)C)C(O)C(C)O2)CC(C)C(=O)C(C)C(O)C1(C)O| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 732.95 | Num_heavy_atoms: | 51 |
| TPSA: | 187.92 | NumAromaticRings: | 0 |
