Glycoside
GD119311
Name:
({2,4-dicarbamimidamido-3,6-dihydroxy-5-[(4-hydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-(methylamino)-4-(phosphonooxy)oxan-2-yl]oxy}-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexyl}oxy)phosphonic acidFormula:
C21H43O18N7P2Smiles:
CNC1C(OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CO)OC(CO)C(O)C1OP(=O)(O)OAglycone:
N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1O.O=P(O)(O)OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)CO)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.9 |
| AlogP: | -7.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 743.55 | Num_heavy_atoms: | 48 |
| TPSA: | 427.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
