Glycoside
GD117557
Name:
colletotrichamide bFormula:
C36H56O11N2Smiles:
CCC(C)C1C(=O)OC(C(C)CC=CCC(C)OC2OC(CO)C(O)C(O)C2O)CC(O)C(C)C(O)=NC(Cc2ccccc2)C(=O)N1CAglycone:
CCC(C)C1C(=O)OC(C(C)CC=CCC(C)O)CC(O)C(C)C(O)=NC(Cc2ccccc2)C(=O)N1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 692.85 | Num_heavy_atoms: | 49 |
| TPSA: | 198.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD46882
Formula: C30H46O6N2
Smiles:
CCC(C)C1C(=O)OC(C(C)CC=CCC(C)O)CC(O)C(C)C(O)=NC(Cc2ccccc2)C(=O)N1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 530.71 | Num_heavy_atoms: | 38 |
| TPSA: | 119.66 | NumAromaticRings: | 1 |
