Glycoside
GD148430
Name:
2-(aminomethyl)-6-[(2,4-diamino-5-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]oxane-3,4,5-triolFormula:
C18H36O10N4Smiles:
NCC1OC(OC2CC(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(O)C(O)C1OAglycone:
NC1CC(N)C(O)CC1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.5 | Num_heavy_atoms: | 32 |
| TPSA: | 262.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD52666
Formula: C6H14O2N2
Smiles:
NC1CC(N)C(O)CC1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 92.5 | NumAromaticRings: | 0 |
