Glycoside
GD021074
Name:
NoneFormula:
C22H30O10N3PSSmiles:
CC(C)(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)(C)CO)Oc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 559.53 | Num_heavy_atoms: | 37 |
| TPSA: | 192.66 | 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 |
AD14456
Formula: C14H21O6PS
Smiles:
COP(=O)(OCCSC(=O)C(C)(C)CO)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 348.36 | Num_heavy_atoms: | 22 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
