Glycoside
GD129828
Name:
4-amino-2-{[4,6-diamino-3-({3-amino-6-[(methylamino)methyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyloxane-3,5-diolFormula:
C19H39O7N5Smiles:
CNCC1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(N)C3O)C2O)O1Aglycone:
CNCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CC1(O)COC(O)C(O)C1NOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -3.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.55 | Num_heavy_atoms: | 31 |
| TPSA: | 213.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD05542
Formula: C13H28O4N4
Smiles:
CNCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.39 | Num_heavy_atoms: | 21 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
