Glycoside
...
GD037031

Name:
None

Formula:
C40H48O13N4FCl

Smiles:
CC(=O)OC[C@@H]1OC(OCCCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCCN2CCOCC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 1 FractionCSP3: 0.54
AlogP: 4.53 Num_rotatable_bonds: 19
MolWt: 835.28 Num_heavy_atoms: 58
TPSA: 192.4 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
AD23356
Formula: C26H30O4N4FCl

Smiles:
OCCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.44
AlogP: 4.42 Num_rotatable_bonds: 12
MolWt: 504.99 Num_heavy_atoms: 35
TPSA: 88.97 NumAromaticRings: 3

Sugarmoiety
SD00012

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