Glycoside
GD131670
Name:
NoneFormula:
C45H47O13N3Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)C=CC21C(=O)OAglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)C=CC21C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 837.88 | Num_heavy_atoms: | 61 |
| TPSA: | 262.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD53327
Formula: C39H37O7N3
Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3CCc3cccc(O)c34)C=CC21C(=O)O| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 659.74 | Num_heavy_atoms: | 49 |
| TPSA: | 163.25 | NumAromaticRings: | 3 |
