Glycoside
GD123323
Name:
2-[(2,4-diamino-5-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-3,6-dihydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C19H37O8N5Smiles:
CNC1C(O)C(OC2C(N)C(O)C(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)OAglycone:
NCC1=CCC(N)C(OC2C(N)C(O)C(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -4.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.53 | Num_heavy_atoms: | 32 |
| TPSA: | 233.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD49755
Formula: C12H24O5N4
Smiles:
NCC1=CCC(N)C(OC2C(N)C(O)C(N)C(O)C2O)O1| HBA: | 9 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | -3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.35 | Num_heavy_atoms: | 21 |
| TPSA: | 183.23 | NumAromaticRings: | 0 |
