Glycoside

GD033957
Name:
NoneFormula:
C38H52O21N2Smiles:
O=C1C2=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]([C@H](O)CO)[C@H]2C[C@@H]2c3[nH]c4cc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)ccc4c3CCN12Aglycone:
O=C1C2=COC(O)C(C(O)CO)C2CC2c3[nH]c4cc(O)ccc4c3CCN12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 23 | RingCount: | 8 |
HBD: | 14 | FractionCSP3: | 0.71 |
AlogP: | -6.36 | Num_rotatable_bonds: | 11 |
MolWt: | 872.83 | Num_heavy_atoms: | 61 |
TPSA: | 363.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD21639
Formula: C20H22O6N2
Smiles:
O=C1C2=COC(O)C(C(O)CO)C2CC2c3[nH]c4cc(O)ccc4c3CCN12HBA: | 8 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.45 |
AlogP: | 0.52 | Num_rotatable_bonds: | 2 |
MolWt: | 386.4 | Num_heavy_atoms: | 28 |
TPSA: | 126.25 | NumAromaticRings: | 2 |