Glycoside
GD132978
Name:
2-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C21H41O7N5Smiles:
CNC(C)C1=CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1Aglycone:
CNC(C)C1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.59 | Num_heavy_atoms: | 33 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD53833
Formula: C14H28O4N4
Smiles:
CNC(C)C1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.4 | Num_heavy_atoms: | 22 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
