Glycoside
GD005721
Name:
NoneFormula:
C23H32O8N4Smiles:
CN(Cc1ccccc1)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(Cc1ccccc1)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.53 | Num_heavy_atoms: | 35 |
| TPSA: | 172.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD04821
Formula: C18H23O5N3
Smiles:
CN(Cc1ccccc1)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.4 | Num_heavy_atoms: | 26 |
| TPSA: | 107.79 | NumAromaticRings: | 2 |
