Glycoside
GD008241
Name:
NoneFormula:
C22H30O11N3PSSmiles:
CC(CO)(CO)C(=O)SCCOP(=O)(OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)Oc1ccccc1Aglycone:
COP(=O)(OCCSC(=O)C(C)(CO)CO)Oc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 575.53 | Num_heavy_atoms: | 38 |
| TPSA: | 212.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06606
Formula: C14H21O7PS
Smiles:
COP(=O)(OCCSC(=O)C(C)(CO)CO)Oc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 364.36 | Num_heavy_atoms: | 23 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
