Glycoside
GD119064
Name:
6-[(4,6-diamino-3-{[6-(aminomethyl)-3,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diolFormula:
C20H40O10N4Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)C(O)CC3O)C2O)OC(CO)C1(C)OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OC(CO)C1(C)O.NCC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.61 | Num_rotatable_bonds: | 7 |
| 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 |
