Glycoside
...
GD037816

Name:
n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide

Formula:
C41H50O14N3ClS

Smiles:
CC(=O)OC[C@H]1O[C@H](OCCCOc2cccc(OCc3cc(-c4ccc(Cl)s4)on3)c2NC(=O)C2CCN(C(C)C)CC2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)N1CCC(C(=O)Nc2c(OCCCO)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 1 FractionCSP3: 0.55
AlogP: 5.56 Num_rotatable_bonds: 18
MolWt: 864.37 Num_heavy_atoms: 59
TPSA: 200.49 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD16834
Formula: C27H32O5N3ClS

Smiles:
CC(C)N1CCC(C(=O)Nc2c(OCCCO)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.46
AlogP: 5.46 Num_rotatable_bonds: 11
MolWt: 534.08 Num_heavy_atoms: 36
TPSA: 97.06 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O