Glycoside

GD025244
Name:
NoneFormula:
C32H38O15N2Smiles:
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)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(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 7 |
HBD: | 9 | FractionCSP3: | 0.56 |
AlogP: | -2.68 | Num_rotatable_bonds: | 7 |
MolWt: | 690.66 | Num_heavy_atoms: | 49 |
TPSA: | 261.16 | 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 |