Glycoside
GD007779
Name:
NoneFormula:
C19H28O16N3P3Smiles:
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:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.COc1ccc(CCCON=c2cc[nH]c(=O)[nH]2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 647.36 | Num_heavy_atoms: | 41 |
| TPSA: | 278.12 | 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 |
AD06300
Formula: C14H17O3N3
Smiles:
COc1ccc(CCCON=c2cc[nH]c(=O)[nH]2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.31 | Num_heavy_atoms: | 20 |
| TPSA: | 79.47 | NumAromaticRings: | 2 |
