Glycoside
GD106216
Name:
3,5-dihydroxy-2-({4-hydroxy-3-[1-hydroxy-2-({1,3,5-triazatricyclo[3.3.1.1³,â·]decan-7-yl}imino)ethoxy]-1-({1,3,5-triazatricyclo[3.3.1.1³,â·]decan-7-yl}imino)butan-2-yl}oxy)-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C28H46O10N8Smiles:
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[C@@H](/C=N\C23CN4CN(CN(C4)C2)C3)[C@@H](CO)O[C@H](O)/C=N/C23CN4CN(CN(C4)C2)C3)[C@@H]1OAglycone:
OCC(OC(O)C=NC12CN3CN(CN(C3)C1)C2)C(O)C=NC12CN3CN(CN(C3)C1)C2Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -5.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 654.72 | Num_heavy_atoms: | 46 |
| TPSA: | 199.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD44115
Formula: C20H34O4N8
Smiles:
OCC(OC(O)C=NC12CN3CN(CN(C3)C1)C2)C(O)C=NC12CN3CN(CN(C3)C1)C2| HBA: | 12 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | -3.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.54 | Num_heavy_atoms: | 32 |
| TPSA: | 114.08 | NumAromaticRings: | 0 |
