Glycoside
GD114509
Name:
{[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]oxy}({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acidFormula:
C19H23O10N6PSmiles:
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)C(N)Cc2ccc(O)c(O)c2)C(O)C1OAglycone:
COP(=O)(O)OC(=O)C(N)Cc1ccc(O)c(O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.4 | Num_heavy_atoms: | 36 |
| TPSA: | 258.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD45100
Formula: C10H14O7NP
Smiles:
COP(=O)(O)OC(=O)C(N)Cc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 291.2 | Num_heavy_atoms: | 19 |
| TPSA: | 139.31 | NumAromaticRings: | 1 |
