Glycoside
GD001280
Name:
NoneFormula:
C24H34O10N4Smiles:
COc1ccc(CNC[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)cc1OCAglycone:
COc1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1OCSugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 199.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD01314
Formula: C19H25O7N3
Smiles:
COc1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.42 | Num_heavy_atoms: | 29 |
| TPSA: | 135.04 | NumAromaticRings: | 2 |
