Glycoside
...
GD026454

Name:
None

Formula:
C52H71O24N2

Smiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](CO)O[C@H](OCCCc4cccc(CCCO)c4)[C@H](NC(=O)c4ccc5ccccc5c4)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO

Aglycone:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.NC(=O)c1ccc2ccccc2c1.OCCCc1cccc(CCCO)c1

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 14 FractionCSP3: 0.63
AlogP: -5.53 Num_rotatable_bonds: 23
MolWt: 1108.13 Num_heavy_atoms: 78
TPSA: 414.93 NumAromaticRings: 3

Unique Aglycone
AD00078
Formula: C11H9ON

Smiles:
NC(=O)c1ccc2ccccc2c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.94 Num_rotatable_bonds: 1
MolWt: 171.2 Num_heavy_atoms: 13
TPSA: 43.09 NumAromaticRings: 2
AD00303
Formula: C11H18O9N

Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -5.21 Num_rotatable_bonds: 5
MolWt: 308.26 Num_heavy_atoms: 21
TPSA: 179.61 NumAromaticRings: 0
AD00304
Formula: C12H18O2

Smiles:
OCCCc1cccc(CCCO)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: 1.54 Num_rotatable_bonds: 6
MolWt: 194.27 Num_heavy_atoms: 14
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00278

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O