Glycoside
GD039968
Name:
2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acidFormula:
C19H20O12N3PSmiles:
C=C(OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21)C(=O)OAglycone:
C=C(O[PH](=O)O)C(=O)O.Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21Sugarmoiety:
OOCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 513.35 | Num_heavy_atoms: | 35 |
| TPSA: | 241.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD23877
Formula: C12H9O3N3
Smiles:
Cn1c2nc(=O)[nH]c(=O)c-2cc2ccc(O)cc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 243.22 | Num_heavy_atoms: | 18 |
| TPSA: | 87.98 | NumAromaticRings: | 1 |
AD24614
Formula: C3H5O5P
Smiles:
C=C(O[PH](=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.04 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
