Glycoside
...
GD037710

Name:
None

Formula:
C34H31O12N3FClS

Smiles:
COc1cc(OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COc2cc(F)cc(-c3ccc(C(=O)O)cn3)c2)c(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1

Aglycone:
COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1.O=C(O)c1ccc(-c2cccc(F)c2)nc1

Sugarmoiety:
OOCC(O)C(O)C(O)C(O)COO

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.24
AlogP: 2.97 Num_rotatable_bonds: 17
MolWt: 748.14 Num_heavy_atoms: 51
TPSA: 238.09 NumAromaticRings: 4

Unique Aglycone
AD15123
Formula: C16H13O4N2ClS

Smiles:
COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 3.17 Num_rotatable_bonds: 6
MolWt: 352.8 Num_heavy_atoms: 23
TPSA: 88.52 NumAromaticRings: 2
AD15124
Formula: C12H8O2NF

Smiles:
O=C(O)c1ccc(-c2cccc(F)c2)nc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 217.2 Num_heavy_atoms: 16
TPSA: 50.19 NumAromaticRings: 2

Sugarmoiety
SD02461

OOCC(O)C(O)C(O)C(O)COO