Glycoside
GD021489
Name:
NoneFormula:
C39H48O9N6Smiles:
O=C1C[C@H](NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1Aglycone:
CNC1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.38 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 13 |
| MolWt: | 744.85 | Num_heavy_atoms: | 54 |
| TPSA: | 245.37 | NumAromaticRings: | 4 |
Unique Aglycone
AD01964
Formula: C34H38O4N6
Smiles:
CNC1CC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)CNC1=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.72 | Num_heavy_atoms: | 44 |
| TPSA: | 144.22 | NumAromaticRings: | 4 |
