Glycoside
GD118457
Name:
Neonaucleoside BFormula:
C45H54O20N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCc1c(C(=O)O)nc(CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)c2[nH]c3ccccc3c12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCc1c(C(=O)O)nc(CC2C(C(=O)OC)=COC(O)C2C=C)c2[nH]c3ccccc3c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.51 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 16 |
| MolWt: | 942.92 | Num_heavy_atoms: | 67 |
| TPSA: | 335.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD47368
Formula: C33H34O10N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCc1c(C(=O)O)nc(CC2C(C(=O)OC)=COC(O)C2C=C)c2[nH]c3ccccc3c12| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 618.64 | Num_heavy_atoms: | 45 |
| TPSA: | 177.5 | NumAromaticRings: | 3 |
