Glycoside
GD012743
Name:
NoneFormula:
C25H34O9N4Smiles:
CC(C)c1ccc(C(=O)NC[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)cc1Aglycone:
CC(C)c1ccc(C(=O)NCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.57 | Num_heavy_atoms: | 38 |
| TPSA: | 198.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD09575
Formula: C20H25O6N3
Smiles:
CC(C)c1ccc(C(=O)NCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.44 | Num_heavy_atoms: | 29 |
| TPSA: | 133.65 | NumAromaticRings: | 2 |
