Glycoside
...
GD033957

Name:
None

Formula:
C38H52O21N2

Smiles:
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)ccc4c3CCN12

Aglycone:
O=C1C2=COC(O)C(C(O)CO)C2CC2c3[nH]c4cc(O)ccc4c3CCN12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other 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)ccc4c3CCN12
HBA: 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

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O