Glycoside
GD011340
Name:
NoneFormula:
C29H36O8N4Smiles:
CN(Cc1ccc(-c2ccccc2)cc1)C[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1C[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1Aglycone:
CN(Cc1ccc(-c2ccccc2)cc1)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 568.63 | Num_heavy_atoms: | 41 |
| TPSA: | 172.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD08680
Formula: C24H27O5N3
Smiles:
CN(Cc1ccc(-c2ccccc2)cc1)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.5 | Num_heavy_atoms: | 32 |
| TPSA: | 107.79 | NumAromaticRings: | 3 |
