Glycoside

GD030007
Name:
NoneFormula:
C26H28O10N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3Cc4c([nH]c5cc(O)ccc5c4=O)[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3Cc4c([nH]c5cc(O)ccc5c4=O)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.46 |
AlogP: | -0.5 | Num_rotatable_bonds: | 4 |
MolWt: | 528.51 | Num_heavy_atoms: | 38 |
TPSA: | 182.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD16760
Formula: C20H18O5N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3Cc4c([nH]c5cc(O)ccc5c4=O)C3CC21HBA: | 7 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.3 |
AlogP: | 1.67 | Num_rotatable_bonds: | 1 |
MolWt: | 366.37 | Num_heavy_atoms: | 27 |
TPSA: | 102.86 | NumAromaticRings: | 2 |