Glycoside
GD038397
Name:
(10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amideFormula:
C37H63O9N17Smiles:
C[C@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(N)=OAglycone:
CC(NC(=O)CCCCCNC=O)C(=O)NCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.65 |
| AlogP: | -4.13 | Num_rotatable_bonds: | 28 |
| MolWt: | 890.02 | Num_heavy_atoms: | 63 |
| TPSA: | 431.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD11408
Formula: C28H54O6N12
Smiles:
CC(NC(=O)CCCCCNC=O)C(=O)NCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O| HBA: | 18 | RingCount: | 0 |
| HBD: | 15 | FractionCSP3: | 0.71 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 27 |
| MolWt: | 654.82 | Num_heavy_atoms: | 46 |
| TPSA: | 312.39 | NumAromaticRings: | 0 |
