Glycoside
GD149575
Name:
N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidineFormula:
C21H41O13N7Smiles:
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(CO)C2(O)CO)OC(CO)C(O)C1OAglycone:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(CO)C2(O)CO)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.9 |
| AlogP: | -8.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 599.6 | Num_heavy_atoms: | 41 |
| TPSA: | 354.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD07399
Formula: C8H18O4N6
Smiles:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.27 | Num_heavy_atoms: | 18 |
| TPSA: | 204.72 | NumAromaticRings: | 0 |
