Glycoside
GD005294
Name:
NoneFormula:
C41H48O10N6Smiles:
O=C(C[C@@H]1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)NC1OC(CO)C(O)C(O)C1OAglycone:
NC(=O)CC1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 784.87 | Num_heavy_atoms: | 57 |
| TPSA: | 251.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD04521
Formula: C35H38O5N6
Smiles:
NC(=O)CC1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=O| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.73 | Num_heavy_atoms: | 46 |
| TPSA: | 175.28 | NumAromaticRings: | 4 |
