Glycoside
GD119618
Name:
N-(4-carbamimidamidobutyl)-5-{2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl}-2-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-carboxamideFormula:
C40H58O14N8Smiles:
N=C(N)NCCCCN=C(O)C=Cc1ccc2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc1)O2Aglycone:
N=C(N)NCCCCN=C(O)C=Cc1ccc2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.55 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 20 |
| MolWt: | 874.95 | Num_heavy_atoms: | 62 |
| TPSA: | 376.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD47620
Formula: C28H38O4N8
Smiles:
N=C(N)NCCCCN=C(O)C=Cc1ccc2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(O)cc1)O2| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.36 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 14 |
| MolWt: | 550.66 | Num_heavy_atoms: | 40 |
| TPSA: | 218.44 | NumAromaticRings: | 2 |
