Glycoside
GD030255
Name:
VX-135Formula:
C22H30O9N3PSSmiles:
CC(C)OC(=O)[C@H](C)NP(=S)(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@](C)(O)[C@H]1O)Oc1ccccc1Aglycone:
COP(=S)(NC(C)C(=O)OC(C)C)Oc1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 543.54 | Num_heavy_atoms: | 36 |
| TPSA: | 161.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD19586
Formula: C13H20O4NPS
Smiles:
COP(=S)(NC(C)C(=O)OC(C)C)Oc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 317.35 | Num_heavy_atoms: | 20 |
| TPSA: | 56.79 | NumAromaticRings: | 1 |
