Glycoside
GD025725
Name:
PROPYNYL DCTPFormula:
C11H16O13N3P3Smiles:
CC#Cc1cn(C2CC(O)C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1NAglycone:
CC#Cc1c[nH]c(=O)nc1N.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.18 | Num_heavy_atoms: | 30 |
| TPSA: | 250.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
AD17028
Formula: C7H7ON3
Smiles:
CC#Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
