Glycoside
GD128410
Name:
2-[(2,4-diamino-5-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}cyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H39O6N5Smiles:
CNC1C(O)C(OC2CC(OC3OC(CN)CCC3N)C(N)CC2N)OCC1(C)OAglycone:
NCC1CCC(N)C(OC2CC(O)C(N)CC2N)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.55 | Num_heavy_atoms: | 30 |
| TPSA: | 193.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD52011
Formula: C12H26O3N4
Smiles:
NCC1CCC(N)C(OC2CC(O)C(N)CC2N)O1| HBA: | 7 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.37 | Num_heavy_atoms: | 19 |
| TPSA: | 142.77 | NumAromaticRings: | 0 |
