Glycoside
GD157314
Name:
Dictyonamide BFormula:
C69H118O20N12Smiles:
CCC(C)C(N=C(O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(N=C(O)C(C(C)C)N(C)C(=O)C(C(C)OC1(CO)OC(CO)C(O)C1O)N(C)C(=O)C(N=C(O)C(C)N)C(C)O)C(C)C)C(=O)N(C)C(C(=O)N(C)CC(O)=Nc1ccccc1C(=O)O)C(C)CAglycone:
CCC(C)C(N=C(O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(N=C(O)C(C(C)C)N(C)C(=O)C(C(C)O)N(C)C(=O)C(N=C(O)C(C)N)C(C)O)C(C)C)C(=O)N(C)C(C(=O)N(C)CC(O)=Nc1ccccc1C(=O)O)C(C)CSugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.74 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 37 |
| MolWt: | 1435.77 | Num_heavy_atoms: | 101 |
| TPSA: | 455.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD62207
Formula: C63H108O15N12
Smiles:
CCC(C)C(N=C(O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(N=C(O)C(C(C)C)N(C)C(=O)C(C(C)O)N(C)C(=O)C(N=C(O)C(C)N)C(C)O)C(C)C)C(=O)N(C)C(C(=O)N(C)CC(O)=Nc1ccccc1C(=O)O)C(C)C| HBA: | 27 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 33 |
| MolWt: | 1273.63 | Num_heavy_atoms: | 90 |
| TPSA: | 376.31 | NumAromaticRings: | 1 |
