Glycoside
...
GD109258

Name:
None

Formula:
C32H25O12NCl2

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1cc2c(cc1Cl)[C@]1(OC(=O)c3ccccc31)c1cc(Cl)c(OCC(=O)O)cc1O2

Aglycone:
O=C(O)COc1cc2c(cc1Cl)C1(OC(=O)c3ccccc31)c1cc(Cl)c(O)cc1O2

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 5 FractionCSP3: 0.3
AlogP: 2.35 Num_rotatable_bonds: 7
MolWt: 662.43 Num_heavy_atoms: 45
TPSA: 190.31 NumAromaticRings: 3

Unique Aglycone
AD44534
Formula: C24H12O7Cl2

Smiles:
O=C(O)COc1cc2c(cc1Cl)C1(OC(=O)c3ccccc31)c1cc(Cl)c(O)cc1O2
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.09
AlogP: 4.73 Num_rotatable_bonds: 3
MolWt: 459.24 Num_heavy_atoms: 31
TPSA: 102.29 NumAromaticRings: 3

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O