Glycoside
GD035658
Name:
NoneFormula:
C23H31O17N4P3Smiles:
C#CCNC(=O)COc1ccc(CCCON=c2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)[nH]2)cc1Aglycone:
C#CCNC(=O)COc1ccc(CCCON=c2cc[nH]c(=O)[nH]2)cc1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 17 |
| MolWt: | 728.43 | Num_heavy_atoms: | 47 |
| TPSA: | 307.22 | 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 |
AD22552
Formula: C18H20O4N4
Smiles:
C#CCNC(=O)COc1ccc(CCCON=c2cc[nH]c(=O)[nH]2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 356.38 | Num_heavy_atoms: | 26 |
| TPSA: | 108.57 | NumAromaticRings: | 2 |
