Glycoside
GD151186
Name:
2-(aminomethyl)-6-[(2,4-diamino-5-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6-dihydroxycyclohexyl)oxy]oxane-3,4,5-triolFormula:
C18H36O12N4Smiles:
NCC1OC(OC2C(N)C(O)C(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1OAglycone:
NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 1.0 |
| AlogP: | -8.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.5 | Num_heavy_atoms: | 34 |
| TPSA: | 302.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD44884
Formula: C6H14O4N2
Smiles:
NC1C(O)C(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
