Glycoside

GD030746
Name:
NoneFormula:
C38H50O19N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5cc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)ccc45)[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5cc(O)ccc45)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 21 | RingCount: | 8 |
HBD: | 12 | FractionCSP3: | 0.66 |
AlogP: | -4.52 | Num_rotatable_bonds: | 10 |
MolWt: | 838.81 | Num_heavy_atoms: | 59 |
TPSA: | 323.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD19888
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5cc(O)ccc45)C3CC21HBA: | 6 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.35 |
AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
MolWt: | 352.39 | Num_heavy_atoms: | 26 |
TPSA: | 85.79 | NumAromaticRings: | 2 |