Glycoside
GD149154
Name:
{2-[(2-amino-3-hydroxypropanoyl)oxy]-5-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-4,6-dihydroxycyclohexyl}oxidanesulfonic acidFormula:
C25H39O18N7SSmiles:
Nc1ncnc2c1ncn2C1OC(COC2C(O)C(OC3OC(CO)C(O)C(O)C3N)C(O)C(OS(=O)(=O)O)C2OC(=O)C(N)CO)C(O)C1OAglycone:
COC1C(O)C(O)C(O)C(OS(=O)(=O)O)C1OC(=O)C(N)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.76 |
| AlogP: | -8.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 757.69 | Num_heavy_atoms: | 51 |
| TPSA: | 410.32 | NumAromaticRings: | 2 |
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 |
AD59645
Formula: C10H19O11NS
Smiles:
COC1C(O)C(O)C(O)C(OS(=O)(=O)O)C1OC(=O)C(N)CO| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -4.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.33 | Num_heavy_atoms: | 23 |
| TPSA: | 206.07 | NumAromaticRings: | 0 |
