Glycoside
...
GD030746

Name:
None

Formula:
C38H50O19N2

Smiles:
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]21

Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5cc(O)ccc45)C3CC21

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: 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)C3CC21
HBA: 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

Sugarmoiety
SD00069

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