Glycoside

GD013742
Name:
NoneFormula:
C62H67O18N5Smiles:
Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c2ccc([nH]2)C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c2ccc([nH]2)C(c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c2ccc1[nH]2Aglycone:
Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc1[nH]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 23 | RingCount: | 12 |
HBD: | 18 | FractionCSP3: | 0.35 |
AlogP: | 1.15 | Num_rotatable_bonds: | 13 |
MolWt: | 1170.24 | Num_heavy_atoms: | 85 |
TPSA: | 387.32 | NumAromaticRings: | 8 |
Unique Aglycone
AD10209
Formula: C44H37O3N5
Smiles:
Nc1ccccc1C1c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc([nH]2)C(c2ccc(O)cc2)c2ccc1[nH]2HBA: | 8 | RingCount: | 9 |
HBD: | 9 | FractionCSP3: | 0.09 |
AlogP: | 8.73 | Num_rotatable_bonds: | 4 |
MolWt: | 683.81 | Num_heavy_atoms: | 52 |
TPSA: | 149.87 | NumAromaticRings: | 8 |