Glycoside
GD158155
Name:
N-({3-amino-2-[(4,6-diamino-3-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4-dihydro-2H-pyran-6-yl}methyl)carboximidic acidFormula:
C20H37O8N5Smiles:
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN=CO)=CCC3N)C2O)OCC1(C)OAglycone:
NC1CC=C(CN=CO)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.85 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.54 | Num_heavy_atoms: | 33 |
| TPSA: | 220.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD62450
Formula: C13H24O5N4
Smiles:
NC1CC=C(CN=CO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.77 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.36 | Num_heavy_atoms: | 22 |
| TPSA: | 169.57 | NumAromaticRings: | 0 |
