Glycoside
GD120646
Name:
Clonostachin BFormula:
C79H136O25N14Smiles:
CCC(C)C(N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)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)(CC)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: | 4.04 | Num_rotatable_bonds: | 41 |
| MolWt: | 1682.03 | Num_heavy_atoms: | 118 |
| TPSA: | 615.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48493
Formula: C73H124O19N14
Smiles:
CCC(C)C(C=O)N=C(O)C(C)(CC)N=C(O)C1CC(O)CN1C(=O)C(C)(CC)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: | 7.26 | Num_rotatable_bonds: | 35 |
| MolWt: | 1501.87 | Num_heavy_atoms: | 106 |
| TPSA: | 505.13 | NumAromaticRings: | 0 |
