Glycoside
GD145414
Name:
({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methoxy)phosphonic acidFormula:
C21H42O15N7PSmiles:
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)COP(=O)(O)O)OC(CO)C(O)C1OAglycone:
COP(=O)(O)O.N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.9 |
| AlogP: | -7.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 663.58 | Num_heavy_atoms: | 44 |
| TPSA: | 381.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
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 |
