Glycoside
...
GD036697

Name:
None

Formula:
C30H28O9N4F2

Smiles:
C=CCOC(=O)[C@@H]1O[C@H](OC(=O)c2ccc(-n3cccn3)c([C@H](C)Oc3cc4cc(F)cc(F)c4nc3N)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
C=CCOC=O.CC(Oc1cc2cc(F)cc(F)c2nc1N)c1cc(C(=O)O)ccc1-n1cccn1

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 5 FractionCSP3: 0.27
AlogP: 2.11 Num_rotatable_bonds: 9
MolWt: 626.57 Num_heavy_atoms: 45
TPSA: 188.48 NumAromaticRings: 4

Unique Aglycone
AD10499
Formula: C4H6O2

Smiles:
C=CCOC=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.25
AlogP: 0.35 Num_rotatable_bonds: 3
MolWt: 86.09 Num_heavy_atoms: 6
TPSA: 26.3 NumAromaticRings: 0
AD23147
Formula: C21H16O3N4F2

Smiles:
CC(Oc1cc2cc(F)cc(F)c2nc1N)c1cc(C(=O)O)ccc1-n1cccn1
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.1
AlogP: 4.12 Num_rotatable_bonds: 5
MolWt: 410.38 Num_heavy_atoms: 30
TPSA: 103.26 NumAromaticRings: 4

Sugarmoiety
SD00017

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