Glycoside
GD132828
Name:
({2,4-dicarbamimidamido-5-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]-3,6-dihydroxycyclohexyl}oxy)phosphonic acidFormula:
C21H42O14N7PSmiles:
CNC1C(OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2CO)OC(CO)C(O)C1OAglycone:
N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2CO)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.9 |
| AlogP: | -6.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 647.58 | Num_heavy_atoms: | 43 |
| TPSA: | 360.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD46869
Formula: C8H19O7N6P
Smiles:
N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 13 | FractionCSP3: | 0.75 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.25 | Num_heavy_atoms: | 22 |
| TPSA: | 251.25 | NumAromaticRings: | 0 |
