Glycoside
GD137226
Name:
(3-amino-3-carboxypropyl)({[5-(6-amino-8,9-dihydro-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfaniumFormula:
C15H25O5N6SSmiles:
C[S+](CCC(N)C(=O)O)CC1OC(N2CNc3c(N)ncnc32)C(O)C1OAglycone:
C[S+](C)CCC(N)C(=O)O.Nc1ncnc2c1NCN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.47 | Num_heavy_atoms: | 27 |
| TPSA: | 180.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD02376
Formula: C6H14O2NS
Smiles:
C[S+](C)CCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 164.25 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD24777
Formula: C5H7N5
Smiles:
Nc1ncnc2c1NCN2| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 75.86 | NumAromaticRings: | 1 |
