Glycoside
GD148364
Name:
2-{[4-carboxy-2-({[(5-{[5-(2,5-dihydroxy-4-{[1-(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)ethyl]amino}phenyl)-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy](hydroxy)phosphoryl}oxy)-1-hydroxybutylidene]amino}butanedioic acidFormula:
C33H44O21N7PSmiles:
CC(Nc1cc(O)c(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O)C(O)C2O)cc1O)c1cnc2[nH]c(=N)nc(O)c2n1Aglycone:
COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O.Cc1cc(O)c(NC(C)c2cnc3[nH]c(=N)nc(O)c3n2)cc1OSugarmoiety:
OC(O)C(O)C(O)COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.52 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 23 |
| MolWt: | 905.72 | Num_heavy_atoms: | 62 |
| TPSA: | 470.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD45170
Formula: C10H16O11NP
Smiles:
COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 357.21 | Num_heavy_atoms: | 23 |
| TPSA: | 200.25 | NumAromaticRings: | 0 |
AD59369
Formula: C15H16O3N6
Smiles:
Cc1cc(O)c(NC(C)c2cnc3[nH]c(=N)nc(O)c3n2)cc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.33 | Num_heavy_atoms: | 24 |
| TPSA: | 151.03 | NumAromaticRings: | 3 |
