Glycoside
GD015943
Name:
2-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-4-(methylamino)oxane-3,5-diolFormula:
C19H39O7N5Smiles:
CN[C@H]1[C@H](O)CO[C@@H](O[C@@H]2[C@H](N)C[C@H](N)C(O[C@@H]3OC(C(C)N)CC[C@H]3N)[C@H]2O)[C@H]1OAglycone:
CC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)COC(O)C1OOther 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
AD09586
Formula: C13H28O4N4
Smiles:
CC(N)C1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.39 | Num_heavy_atoms: | 21 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
