Glycoside
GD037678
Name:
n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamideFormula:
C30H37O15N6PSmiles:
Nc1nc(O)c2cc(C[C@](O)(CNCC(=O)N[C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)ccc2n1Aglycone:
COP(=O)(O)O.NC(=O)CNCC(O)(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.4 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 17 |
| MolWt: | 752.63 | Num_heavy_atoms: | 52 |
| TPSA: | 353.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23697
Formula: C25H28O8N6
Smiles:
NC(=O)CNCC(O)(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.28 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 540.53 | Num_heavy_atoms: | 39 |
| TPSA: | 251.08 | NumAromaticRings: | 3 |
