Glycoside
GD020474
Name:
NoneFormula:
C15H17O14N2P3Smiles:
N#Cc1ccc2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)c2c1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N#Cc1ccc2cc[nH]c(=O)c2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 542.22 | Num_heavy_atoms: | 34 |
| TPSA: | 255.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD14132
Formula: C10H6ON2
Smiles:
N#Cc1ccc2cc[nH]c(=O)c2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.17 | Num_heavy_atoms: | 13 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |
