Glycoside
GD145887
Name:
N-(4-carbamimidamidobutyl)-5-{2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl}-7-methoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-carboxamideFormula:
C35H50O10N8Smiles:
COc1cc(C=CC(O)=NCCCCNC(=N)N)cc2c1OC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)C2C(O)=NCCCCNC(=N)NAglycone:
COc1cc(C=CC(O)=NCCCCNC(=N)N)cc2c1OC(c1ccc(O)cc1)C2C(O)=NCCCCNC(=N)NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.49 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 18 |
| MolWt: | 742.83 | Num_heavy_atoms: | 53 |
| TPSA: | 306.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD58534
Formula: C29H40O5N8
Smiles:
COc1cc(C=CC(O)=NCCCCNC(=N)N)cc2c1OC(c1ccc(O)cc1)C2C(O)=NCCCCNC(=N)N| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.38 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 580.69 | Num_heavy_atoms: | 42 |
| TPSA: | 227.67 | NumAromaticRings: | 2 |
