Glycoside
...
GD025344

Name:
None

Formula:
C32H38O13NCl

Smiles:
CC[C@@H]1OCC2O[C@H](O[C@@H]3[C@H](COC(=O)c4ccccc4)O[C@H](OCc4ccc(Cl)c(NC(C)=O)c4)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)C2O1

Aglycone:
CC(=O)Nc1cc(CO)ccc1Cl.CCC1OCC2OC(O)C(O)C(O)C2O1.COC(=O)c1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.55
AlogP: 1.1 Num_rotatable_bonds: 10
MolWt: 668.09 Num_heavy_atoms: 46
TPSA: 191.7 NumAromaticRings: 2

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD01335
Formula: C10H10O2NCl

Smiles:
CC(=O)Nc1cc(CO)ccc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.79 Num_rotatable_bonds: 2
MolWt: 199.64 Num_heavy_atoms: 13
TPSA: 49.33 NumAromaticRings: 1
AD16818
Formula: C9H16O6

Smiles:
CCC1OCC2OC(O)C(O)C(O)C2O1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: -1.42 Num_rotatable_bonds: 1
MolWt: 220.22 Num_heavy_atoms: 15
TPSA: 88.38 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O