Glycoside
GD142212
Name:
2,3-bis[2-(2-methoxyethoxy)ethoxy]propyl N-[({6-[({[5-(4-amino-2-methylidene-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(methyl)phosphoryl)oxy]-4-hydroxy-6-methyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl}carbamoyl)methyl]carbamateFormula:
C36H64O20N5PSmiles:
C=C1NC(=N)C=CN1C1OC(COP(C)(=O)OC2(C)CC(O)C(N=C(O)CN=C(O)OCC(COCCOCCOC)OCCOCCOC)C(C(O)C(O)CO)O2)C(O)C1OAglycone:
C=C1NC=CC(=N)N1.COCCOCCOCC(COC(O)=NCC(O)=NC1C(O)CC(C)(OP(C)(=O)OC)OC1C(O)C(O)CO)OCCOCCOCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 29 |
| MolWt: | 917.9 | Num_heavy_atoms: | 62 |
| TPSA: | 344.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD57235
Formula: C5H7N3
Smiles:
C=C1NC=CC(=N)N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 47.91 | NumAromaticRings: | 0 |
AD57236
Formula: C27H53O17N2P
Smiles:
COCCOCCOCC(COC(O)=NCC(O)=NC1C(O)CC(C)(OP(C)(=O)OC)OC1C(O)C(O)CO)OCCOCCOC| HBA: | 19 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 26 |
| MolWt: | 708.69 | Num_heavy_atoms: | 47 |
| TPSA: | 255.47 | NumAromaticRings: | 0 |
