Glycoside
GD115002
Name:
N-(4-carbamimidamidobutyl)-5-{2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl}-7-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-carboxamideFormula:
C34H48O10N8Smiles:
N=C(N)NCCCCN=C(O)C=Cc1cc(O)c2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)O2Aglycone:
N=C(N)NCCCCN=C(O)C=Cc1cc(O)c2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.47 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 17 |
| MolWt: | 728.8 | Num_heavy_atoms: | 52 |
| TPSA: | 317.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD45409
Formula: C28H38O5N8
Smiles:
N=C(N)NCCCCN=C(O)C=Cc1cc(O)c2c(c1)C(C(O)=NCCCCNC(=N)N)C(c1ccc(O)cc1)O2| HBA: | 13 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.36 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 14 |
| MolWt: | 566.66 | Num_heavy_atoms: | 41 |
| TPSA: | 238.67 | NumAromaticRings: | 2 |
