Glycoside
GD037227
Name:
NoneFormula:
C25H32O10N4Smiles:
NC[C@@H]1O[C@H](O[C@H]([C@H](NC(=O)OCc2ccccc2)C(=O)O)[C@@H]2CC[C@H](n3ccc(=O)[nH]c3=O)C2)[C@H](O)[C@H]1OAglycone:
O=C(NC(C(=O)O)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1)OCc1ccccc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 548.55 | Num_heavy_atoms: | 39 |
| TPSA: | 215.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD23465
Formula: C20H23O7N3
Smiles:
O=C(NC(C(=O)O)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1)OCc1ccccc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.42 | Num_heavy_atoms: | 30 |
| TPSA: | 150.72 | NumAromaticRings: | 2 |
