Glycoside
GD149796
Name:
Adp-5-Ethyl-4-Methylthiazole-2-Carboxylic AcidFormula:
C17H22O12N6P2SSmiles:
Cc1nc(C(=O)O)sc1CCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OCCc1sc(C(=O)O)nc1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.41 | Num_heavy_atoms: | 38 |
| TPSA: | 271.79 | 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 |
AD59883
Formula: C8H13O9NP2S
Smiles:
COP(=O)(O)OP(=O)(O)OCCc1sc(C(=O)O)nc1C| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 361.21 | Num_heavy_atoms: | 21 |
| TPSA: | 152.48 | NumAromaticRings: | 1 |
