Glycoside
...
GD021944

Name:
None

Formula:
C31H36O13NCl

Smiles:
CC(=O)Nc1cc(CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O[C@@H]3OC4CO[C@H](C)OC4[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1Cl

Aglycone:
CC(=O)Nc1cc(CO)ccc1Cl.CC1OCC2OC(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: 0.53
AlogP: 0.71 Num_rotatable_bonds: 9
MolWt: 654.07 Num_heavy_atoms: 45
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
AD14935
Formula: C8H14O6

Smiles:
CC1OCC2OC(O)C(O)C(O)C2O1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: -1.81 Num_rotatable_bonds: 0
MolWt: 206.19 Num_heavy_atoms: 14
TPSA: 88.38 NumAromaticRings: 0

Sugarmoiety
SD00017

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