Glycoside
GD157021
Name:
[(2-{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy][(carbamoylmethyl)[hydroxy({[(12-methyltridecyl)amino]oxy})phosphoryl]amino]phosphinic acidFormula:
C31H56O15N6P2Smiles:
CC(C)CCCCCCCCCCCNOP(=O)(O)N(CC(=N)O)P(=O)(O)OC1C(OCC2OC(n3ccc(=N)nc3O)C(O)C2O)=C(CO)C(O)C1OAglycone:
COC1=C(CO)C(O)C(O)C1OP(=O)(O)N(CC(=N)O)P(=O)(O)ONCCCCCCCCCCCC(C)C.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.77 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 25 |
| MolWt: | 814.76 | Num_heavy_atoms: | 54 |
| TPSA: | 333.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
AD62120
Formula: C23H47O11N3P2
Smiles:
COC1=C(CO)C(O)C(O)C1OP(=O)(O)N(CC(=N)O)P(=O)(O)ONCCCCCCCCCCCC(C)C| HBA: | 14 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 22 |
| MolWt: | 603.59 | Num_heavy_atoms: | 39 |
| TPSA: | 222.33 | NumAromaticRings: | 0 |
