Glycoside
GD127991
Name:
{[2-({2-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-4-yl]oxy}phosphonic acidFormula:
C21H42O15N7PSmiles:
CNC1C(OC2C(OC3C(O)C(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(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: | 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
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 |
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 |
