Glycoside
GD023098
Name:
NoneFormula:
C34H48O10N2Smiles:
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@H](O)[C@H](OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)OCAglycone:
COC(=O)C(N)CC(C)C.COC(=O)C(N)CC(C)C.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 19 |
| MolWt: | 644.76 | Num_heavy_atoms: | 46 |
| TPSA: | 169.72 | NumAromaticRings: | 2 |
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 |
AD15578
Formula: C7H15O2N
Smiles:
COC(=O)C(N)CC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
