Glycoside
GD022793
Name:
NoneFormula:
C40H44O10N2Smiles:
CN(C(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)O)C(Cc1ccccc1)C(=O)OAglycone:
CNC(Cc1ccccc1)C(=O)O.CNC(Cc1ccccc1)C(=O)O.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 19 |
| MolWt: | 712.8 | Num_heavy_atoms: | 52 |
| TPSA: | 174.14 | 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 |
AD15410
Formula: C10H13O2N
Smiles:
CNC(Cc1ccccc1)C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
