Glycoside
GD122977
Name:
ClonostachinFormula:
C78H134O25N14Smiles:
CCC(C)C(N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(O)C(C)(CC)N=C(O)C(C)(C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(C)O)C(=O)OC(C(O)CO)C(O)C(O)COAglycone:
CCC(C)C(C=O)N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(O)C(C)(CC)N=C(O)C(C)(C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(C)OSugarmoiety:
OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 39 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.81 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 40 |
| MolWt: | 1668.0 | Num_heavy_atoms: | 117 |
| TPSA: | 615.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD49601
Formula: C72H122O19N14
Smiles:
CCC(C)C(C=O)N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(O)C(C)(CC)N=C(O)C(C)(C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)N=C(O)C(CC(C)C)N=C(O)C1CC(O)CN1C(=O)C(C)(C)N=C(C)O| HBA: | 33 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.79 |
| AlogP: | 6.87 | Num_rotatable_bonds: | 34 |
| MolWt: | 1487.85 | Num_heavy_atoms: | 105 |
| TPSA: | 505.13 | NumAromaticRings: | 0 |
