Glycoside
GD114230
Name:
2-(1-aminoethyl)-6-[(4,6-diamino-3-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triolFormula:
C20H40O10N4Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)N)C(O)C(O)C3O)C2O)OCC1(C)OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CC(N)C1OC(O)C(O)C(O)C1O.CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.56 | Num_heavy_atoms: | 34 |
| TPSA: | 248.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
