Glycoside
GD115220
Name:
Neonaucleoside CFormula:
C44H54O20N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)C(C2CC3C(=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C)C(=O)O2)c2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)C(C2CC3C(=COC(O)C3C=C)C(=O)O2)c2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 13 |
| MolWt: | 930.91 | Num_heavy_atoms: | 66 |
| TPSA: | 334.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD45536
Formula: C32H34O10N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)C(C2CC3C(=COC(O)C3C=C)C(=O)O2)c2c1[nH]c1ccccc21| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.63 | Num_heavy_atoms: | 44 |
| TPSA: | 176.64 | NumAromaticRings: | 2 |
