Glycoside
GD030379
Name:
NoneFormula:
C44H52O10N2Smiles:
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)OCc1ccccc1)C(C)C)C(=O)OCc1ccccc1Aglycone:
CC(C)C(N)C(=O)OCc1ccccc1.CC(C)C(N)C(=O)OCc1ccccc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 21 |
| MolWt: | 768.9 | Num_heavy_atoms: | 56 |
| TPSA: | 169.72 | 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 |
AD19659
Formula: C12H17O2N
Smiles:
CC(C)C(N)C(=O)OCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.27 | Num_heavy_atoms: | 15 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
