Glycoside
GD040299
Name:
[(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphateFormula:
C17H25O16N3P2Smiles:
CC(=O)N[C@@H]1[C@H](O)C(=O)[C@@H](C)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 589.34 | Num_heavy_atoms: | 38 |
| TPSA: | 282.47 | NumAromaticRings: | 1 |
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 |
AD24720
Formula: C9H17O11NP2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1NC(C)=O| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.18 | Num_heavy_atoms: | 23 |
| TPSA: | 177.92 | NumAromaticRings: | 0 |
