Glycoside
GD017086
Name:
NoneFormula:
C22H34O10N4Smiles:
COC(=O)C1CCN(C[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:
COC(=O)C1CCN(CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)CC1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 514.53 | Num_heavy_atoms: | 36 |
| TPSA: | 198.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD12241
Formula: C17H25O7N3
Smiles:
COC(=O)C1CCN(CC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)CC1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.4 | Num_heavy_atoms: | 27 |
| TPSA: | 134.09 | NumAromaticRings: | 1 |
