Glycoside
GD023353
Name:
4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diolFormula:
C18H37O8N5Smiles:
NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1Aglycone:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -5.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.52 | Num_heavy_atoms: | 31 |
| TPSA: | 247.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD01521
Formula: C12H26O4N4
Smiles:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
