Glycoside
GD038743
Name:
2-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H35O12N3Smiles:
NC[C@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -7.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.49 | Num_heavy_atoms: | 33 |
| TPSA: | 276.82 | 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 |
