Glycoside
GD039678
Name:
n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]Formula:
C42H52O8N6Smiles:
CC(C)[C@@H](NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(=O)NCc1ccccn1)C(C)C)C(=O)NCc1ccccn1Aglycone:
CC(C)C(N)C(=O)NCc1ccccn1.CC(C)C(N)C(=O)NCc1ccccn1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 21 |
| MolWt: | 768.91 | Num_heavy_atoms: | 56 |
| TPSA: | 201.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD24506
Formula: C11H17ON3
Smiles:
CC(C)C(N)C(=O)NCc1ccccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.28 | Num_heavy_atoms: | 15 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
