Glycoside
GD125399
Name:
Cycloaspeptide FFormula:
C42H53O11N5Smiles:
CC(C)CC1N=C(O)C(Cc2ccccc2)N(C)C(=O)C(C)N=C(O)c2ccccc2N=C(O)C(Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)N(C)C1=OAglycone:
CC(C)CC1N=C(O)C(Cc2ccccc2)N(C)C(=O)C(C)N=C(O)c2ccccc2N=C(O)C(Cc2ccc(O)cc2)N(C)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 803.91 | Num_heavy_atoms: | 58 |
| TPSA: | 237.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD50712
Formula: C36H43O6N5
Smiles:
CC(C)CC1N=C(O)C(Cc2ccccc2)N(C)C(=O)C(C)N=C(O)c2ccccc2N=C(O)C(Cc2ccc(O)cc2)N(C)C1=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 641.77 | Num_heavy_atoms: | 47 |
| TPSA: | 158.62 | NumAromaticRings: | 3 |
